%chk=000128246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128246

0 1
 O   -3.567600      -1.701500      0.8229000    
 N   -6.835600     -0.6589000     -0.5206000    
 C    4.182700       1.430000      -1.306400    
 C    3.546200       1.700800      6.3000001E-02
 C    3.840900      7.4199997E-02  -1.932900    
 C    2.120200       1.199400      0.1798000    
 C    1.799200     -0.1223000      0.2315000    
 C    3.860000      -1.057400     -0.9340000    
 C    2.891100      -1.137000      9.3800001E-02
 C   0.3809000     -0.5407000      0.3874000    
 C    1.109100       2.277400      0.2373000    
 C    4.854500      -2.042800      -1.026400    
 C    2.940500      -2.215000      0.9933000    
 C    4.890800      -3.101400     -0.1205000    
 C    3.935000      -3.188000      0.8867000    
 C  -0.1357000     -0.7494000       1.659600    
 C  -0.4099000     -0.7164000     -0.7405000    
 C   0.7314000       2.805400       1.468100    
 C   0.5424000       2.756500     -0.9399000    
 C   -1.466400      -1.140800       1.806300    
 C   -1.740700      -1.107900     -0.5938000    
 C   -2.268800      -1.320100      0.6796000    
 C  -0.2222000       3.822000       1.522300    
 C  -0.4111000       3.773100     -0.8858000    
 C  -0.7934000       4.305900      0.3453000    
 C   -4.487900      -1.259100     -0.1735000    
 C   -5.864700      -1.125900      0.4578000    
 C   -6.965000      -1.617600      -1.620600    
 C   -6.456200      0.6574000      -1.039700    
 H    5.271600       1.512000      -1.194500    
 H    3.888900       2.219200      -2.010000    
 H    3.609300       2.776900      0.2716000    
 H    4.154400       1.232700      0.8494000    
 H    4.542200     -0.1230000      -2.753400    
 H    2.850900      0.1121000      -2.406300    
 H    5.608900      -1.992400      -1.807600    
 H    2.218700      -2.312500       1.799600    
 H    5.664800      -3.858900     -0.2016000    
 H    3.963700      -4.012900       1.592700    
 H   0.4751000     -0.6074000       2.547400    
 H  -8.2999999E-03 -0.5620000      -1.738800    
 H    1.168800       2.438800       2.393300    
 H   0.8316000       2.351400      -1.906500    
 H   -1.873000      -1.302700       2.800800    
 H   -2.320700      -1.263900      -1.498600    
 H  -0.5199000       4.236800       2.480800    
 H  -0.8560000       4.149700      -1.802200    
 H   -1.536000       5.097300      0.3875000    
 H   -4.160700     -0.2891000     -0.5611000    
 H   -4.473500      -2.004700     -0.9742000    
 H   -6.177200      -2.086800      0.8865000    
 H   -5.820900     -0.4410000       1.314700    
 H   -7.835900      -1.350500      -2.230800    
 H   -6.101400      -1.646600      -2.293400    
 H   -7.154300      -2.628900      -1.243200    
 H   -5.611300      0.6403000      -1.736300    
 H   -7.305900       1.084300      -1.585700    
 H   -6.233900       1.357300     -0.2261000    


%chk=000128246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128246

0 1
O -3.928940 -0.378800 0.638169
N -7.173258 -1.651240 -0.800254
C 4.688628 1.323445 -0.768223
C 3.996499 1.269687 0.623911
C 4.003628 0.353460 -1.772943
C 2.470486 1.303556 0.530741
C 1.786594 0.140486 0.206717
C 3.632919 -0.986099 -1.157309
C 2.551396 -1.078464 -0.218862
C 0.298990 0.001181 0.299444
C 1.813104 2.629522 0.743828
C 4.329088 -2.163832 -1.524423
C 2.200745 -2.356663 0.298234
C 3.983074 -3.423418 -0.986623
C 2.909873 -3.518332 -0.070334
C -0.436590 0.524808 1.402530
C -0.428400 -0.697630 -0.700133
C 2.188479 3.472578 1.828148
C 0.833867 3.116737 -0.168780
C -1.830466 0.381226 1.487992
C -1.830878 -0.846990 -0.634525
C -2.537856 -0.298254 0.463980
C 1.594894 4.741275 2.006559
C 0.247473 4.387525 0.001951
C 0.621450 5.207570 1.093192
C -4.714728 -1.087315 -0.384855
C -6.191495 -0.982797 0.070740
C -7.120360 -3.121619 -0.810743
C -7.363748 -1.049145 -2.128907
H 5.756003 1.056204 -0.638716
H 4.653565 2.350605 -1.180287
H 4.364179 2.114231 1.233484
H 4.312697 0.336356 1.127503
H 4.659889 0.202350 -2.650014
H 3.080051 0.845380 -2.135834
H 5.150097 -2.089140 -2.248355
H 1.365375 -2.428522 1.003414
H 4.538508 -4.320398 -1.283426
H 2.628709 -4.489295 0.352644
H 0.098751 1.044219 2.203506
H 0.112833 -1.130350 -1.549098
H 2.931329 3.122504 2.554735
H 0.540475 2.489654 -1.017277
H -2.392070 0.781403 2.337673
H -2.352296 -1.386314 -1.430905
H 1.890977 5.364468 2.858300
H -0.499662 4.740852 -0.717962
H 0.163888 6.194209 1.227071
H -4.564319 -0.607592 -1.373865
H -4.384895 -2.145056 -0.444272
H -6.268784 -1.409907 1.088211
H -6.453409 0.089238 0.148082
H -8.050048 -3.520467 -1.257875
H -6.262805 -3.552637 -1.387167
H -7.054941 -3.496973 0.226435
H -6.535781 -1.251737 -2.854710
H -8.296919 -1.436785 -2.578685
H -7.466163 0.046445 -2.027732


