%chk=000164444.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164444

0 1
 O  -0.8235000     -0.7350000       1.428400    
 O    1.250800      -1.692800      -1.344600    
 O  -0.9685000      -3.136400     -0.6943000    
 O   -6.980200      0.3707000     -0.4014000    
 N   -2.841600     -0.2158000      0.2917000    
 N    2.723800     -3.7400000E-02  0.6129000    
 N   -3.701500       1.815200      4.1000000E-03
 N   -4.743700      -1.624900      8.5000001E-02
 N   -6.371500       2.565700     -0.4832000    
 C   0.2197000      -1.017300     -0.6569000    
 C   0.4667000     -0.9696000      0.8409000    
 C   -1.122900      -1.719000     -0.7400000    
 C   -1.831500      -1.247900      0.5311000    
 C    1.429800      0.1263000       1.260900    
 C   -4.182600     -0.3982000      8.6800002E-02
 C   -2.602500       1.131000      0.2328000    
 C    3.649100       1.009400       1.025200    
 C   -4.690300      0.8678000     -8.7399997E-02
 C    4.970700      0.8051000      0.3498000    
 C   -6.058500       1.212300     -0.3342000    
 C    5.946100      2.4100000E-02  0.9623000    
 C    5.214300       1.398100     -0.8852000    
 C    7.176800     -0.1657000      0.3337000    
 C    6.444900       1.208100      -1.513900    
 C    7.426100      0.4263000     -0.9044000    
 H   0.1253000     -3.7000000E-03  -1.064800    
 H   0.8331000      -1.937600       1.208700    
 H   -1.655200      -1.483200      -1.667200    
 H   -2.322300      -2.068800       1.063900    
 H    1.538000      9.7599998E-02   2.352500    
 H   0.9971000       1.106700       1.022400    
 H    1.285500      -2.605800      -1.011900    
 H    2.604200     -5.5000000E-03 -0.3995000    
 H   -1.859700      -3.525600     -0.7083000    
 H   -1.617000       1.558700      0.3572000    
 H    3.789900      0.9960000       2.113600    
 H    3.255500       2.002600      0.7732000    
 H   -4.214200      -2.481700      0.2069000    
 H   -5.740100      -1.752800     -6.3100003E-02
 H    5.763100     -0.4435000       1.925900    
 H    4.457100       2.008000      -1.370600    
 H    7.940700     -0.7749000      0.8080000    
 H    6.639000       1.668600      -2.478200    
 H   -5.663800       3.291500     -0.4284000    
 H   -7.326200       2.864600     -0.6518000    
 H    8.384200      0.2782000      -1.394000    


%chk=000164444-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164444

0 1
O -0.765324 -0.253813 1.366921
O 1.077508 -1.414598 -1.626215
O -0.862350 -2.922752 -0.588609
O -7.166384 -0.361835 -0.175002
N -2.971271 -0.089854 0.505456
N 2.820838 0.253169 0.418929
N -4.142912 1.788692 -0.015357
N -4.779560 -1.788278 0.426677
N -6.986232 1.957068 -0.485385
C 0.098119 -0.729372 -0.805402
C 0.523234 -0.543261 0.675181
C -1.241762 -1.503315 -0.675825
C -1.831611 -0.992848 0.681432
C 1.488378 0.615190 0.930993
C -4.304420 -0.490905 0.357615
C -2.928319 1.306810 0.268209
C 3.847763 1.300826 0.575368
C -5.016216 0.679923 0.030534
C 5.235202 0.805873 0.180586
C -6.457702 0.713714 -0.215173
C 5.659210 -0.503567 0.523493
C 6.132765 1.657002 -0.510417
C 6.957269 -0.947473 0.187927
C 7.434506 1.216561 -0.843659
C 7.851195 -0.088506 -0.494689
H -0.072240 0.255803 -1.273104
H 0.956092 -1.487327 1.063492
H -1.936740 -1.324933 -1.514330
H -2.146145 -1.860214 1.296132
H 1.556646 0.795612 2.021461
H 1.060462 1.545010 0.474199
H 0.954351 -2.388977 -1.454594
H 2.787759 -0.141292 -0.532180
H -1.583246 -3.496255 -0.944054
H -2.012918 1.877483 0.385966
H 3.852198 1.596889 1.646131
H 3.616201 2.232333 0.000559
H -4.358114 -2.472236 1.054647
H -5.799791 -1.822611 0.266512
H 4.954545 -1.161601 1.043073
H 5.811497 2.667903 -0.792077
H 7.273651 -1.961710 0.458228
H 8.117392 1.886149 -1.379003
H -6.364566 2.766570 -0.497876
H -7.982873 2.052450 -0.666916
H 8.858116 -0.433998 -0.755253


