%chk=000035952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035952

0 1
 O    5.302800       3.356300      0.9676000    
 O    3.840600      -1.642100     -0.5153000    
 O    1.151100      -1.536400      0.2492000    
 O  -0.7569000      -2.516800       2.001000    
 O   0.3556000     -0.1107000      -1.987200    
 O   -4.953300      -1.448000      -1.398900    
 N    5.226100      0.8193000     -0.3204000    
 C    5.766000       2.007700     -0.9955000    
 C    5.410300      0.9383000       1.132600    
 C    5.859200     -0.3971000     -0.8258000    
 C    5.100000       3.264800     -0.4430000    
 C    4.751600       2.220200       1.634500    
 C    5.227000      -1.630600     -0.2013000    
 C    3.189100      -2.775300      4.2100001E-02
 C    1.714000      -2.718900     -0.3059000    
 C  -0.1800000      -1.316200      1.1100000E-02
 C   -1.131800      -1.812200      0.8970000    
 C  -0.5708000     -0.5989000      -1.115700    
 C   -2.884000     -0.8703000     -0.4742000    
 C   -2.487000      -1.588600      0.6537000    
 C   -1.926000     -0.3755000      -1.358800    
 C   -4.297200     -0.6376000     -0.7280000    
 C   -5.017500      0.5626000     -0.2057000    
 C   -4.313700       1.478400      0.5414000    
 C   -6.355100      0.7037000     -0.4931000    
 C  -0.5188000      -1.773100       3.194500    
 C   0.8545000       1.201300      -1.734700    
 C   -4.986000       2.599000       1.028900    
 C   -7.027200       1.824500     -5.5000000E-03
 C   -6.342700       2.772100      0.7555000    
 H    6.851100       2.072400     -0.8416000    
 H    5.578200       1.951700      -2.073800    
 H    6.478600      0.9516000       1.384600    
 H    4.936300      0.1184000       1.678700    
 H    5.707300     -0.4478000      -1.911500    
 H    6.940500     -0.3986000     -0.6403000    
 H    5.544100       4.154200     -0.9014000    
 H    4.025000       3.281300     -0.6601000    
 H    3.664600       2.201200       1.487700    
 H    4.938800       2.341200       2.706300    
 H    5.390600      -1.704700      0.8783000    
 H    5.691300      -2.517100     -0.6519000    
 H    3.310900      -2.755900       1.131300    
 H    3.632600      -3.694100     -0.3570000    
 H    1.592700      -2.697400      -1.395400    
 H    1.203100      -3.601500      9.4999999E-02
 H   -3.231100      -1.977300       1.345200    
 H   -2.231400      0.1841000      -2.240000    
 H   -3.259300       1.378400      0.7745000    
 H   -6.908900     -1.9900000E-02  -1.082800    
 H   0.2937000      -1.055100       3.045100    
 H   -1.428400      -1.251700       3.509300    
 H  -0.2263000      -2.473200       3.981800    
 H    1.359500       1.240900     -0.7642000    
 H   4.2100001E-02   1.934100      -1.766600    
 H    1.579800       1.448000      -2.514800    
 H   -4.453400       3.337200       1.621500    
 H   -8.083700       1.959800     -0.2182000    
 H   -6.866000       3.644800       1.135100    


%chk=000035952-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035952

0 1
O 5.115612 3.603183 0.929293
O 3.682179 -1.587997 -0.920674
O 1.090673 -1.859710 0.547740
O -0.802221 -3.223091 2.190408
O 0.109527 0.252323 -1.226503
O -5.321358 -1.542324 0.620231
N 5.123208 0.995579 -0.354685
C 5.487936 2.226755 -1.102743
C 5.464938 1.146711 1.081956
C 5.694465 -0.217889 -0.980361
C 4.774227 3.443847 -0.493602
C 4.752388 2.379882 1.662190
C 5.082572 -1.536015 -0.496050
C 3.016400 -2.840398 -0.550269
C 1.516477 -2.626415 -0.657727
C -0.267569 -1.474405 0.522756
C -1.198922 -2.152834 1.364633
C -0.730169 -0.438289 -0.339604
C -3.034004 -0.832423 0.418273
C -2.568908 -1.841429 1.300476
C -2.107428 -0.128674 -0.391980
C -4.516696 -0.597796 0.339109
C -5.061466 0.745357 -0.065841
C -4.387136 1.965140 0.212139
C -6.344883 0.787671 -0.675333
C 0.197465 -2.903579 3.232664
C 1.358312 0.856151 -0.681355
C -4.982752 3.200774 -0.124181
C -6.930133 2.019953 -1.026044
C -6.249420 3.231579 -0.751949
H 6.593228 2.408234 -1.085962
H 5.176914 2.109865 -2.158183
H 6.570390 1.257372 1.229218
H 5.133409 0.251314 1.638594
H 5.521843 -0.149408 -2.070601
H 6.804382 -0.282120 -0.824397
H 5.094037 4.379581 -0.981086
H 3.674490 3.321547 -0.602543
H 3.652334 2.225915 1.613182
H 5.056701 2.560614 2.706315
H 5.146665 -1.642415 0.609437
H 5.655172 -2.377274 -0.948595
H 3.273888 -3.133761 0.490598
H 3.330320 -3.657937 -1.236426
H 1.267499 -2.055055 -1.572093
H 0.981177 -3.595700 -0.662994
H -3.280180 -2.400965 1.914107
H -2.430681 0.641264 -1.097658
H -3.416700 1.949033 0.718607
H -6.864867 -0.159047 -0.855519
H 1.119861 -2.498024 2.782863
H -0.226391 -2.180616 3.956284
H 0.401711 -3.859577 3.738580
H 2.173809 0.119706 -0.604651
H 1.159497 1.315387 0.305573
H 1.623942 1.636204 -1.412532
H -4.462366 4.136786 0.106868
H -7.914481 2.041226 -1.506442
H -6.706719 4.191111 -1.018610


