%chk=000263352.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263352

0 1
O 2.074106 -2.220139 0.133402
O 4.103424 -3.093561 0.382782
O -0.958404 4.854981 0.237907
O -4.591694 1.494476 -0.462146
O -2.438709 1.483317 -0.519446
O -6.168862 -4.384199 0.511485
O -7.151307 -2.462004 0.360520
N 0.043591 -1.481480 -0.326441
N -1.088080 -0.697740 -0.085425
N -3.527569 0.905588 -0.390621
N -6.158316 -3.172187 0.365840
C 2.776107 0.047002 1.778958
C 3.234895 1.078014 0.701748
C 3.678519 -1.194669 1.749349
C 3.500295 -1.829845 0.377951
C 1.314495 -0.415761 1.628669
C 3.734667 0.467411 -0.594051
C 3.896052 -0.920324 -0.756963
C 2.144150 2.102090 0.478314
C 1.092607 -1.333732 0.462428
C 4.107151 1.321755 -1.645302
C 4.412085 -1.439573 -1.951346
C 2.056766 3.214192 1.338173
C 1.185260 1.935237 -0.530197
C 4.618935 0.800916 -2.834445
C 4.774144 -0.581470 -2.990298
C 1.012212 4.121160 1.220790
C 0.118061 2.824651 -0.660584
C 0.032547 3.908254 0.225035
C -2.318380 -1.305785 -0.097004
C -3.522824 -0.518932 -0.151743
C -2.448792 -2.733434 0.043375
C -2.081146 4.673192 -0.665370
C -4.779076 -1.150318 0.008417
C -3.672211 -3.323136 0.185454
C -4.856803 -2.521118 0.187210
H 2.868647 0.549110 2.774618
H 4.132007 1.605013 1.139113
H 4.744258 -0.941177 1.918244
H 3.419375 -1.915403 2.550602
H 0.639766 0.469099 1.582909
H 1.001747 -0.955032 2.553450
H 3.986833 2.400595 -1.533079
H 4.536927 -2.516685 -2.065673
H 3.713304 -3.682197 -0.313858
H 2.811412 3.367130 2.109703
H 1.270113 1.099059 -1.228619
H 4.899566 1.474148 -3.645171
H 5.174857 -0.985491 -3.918681
H 0.925815 4.984808 1.876977
H -0.634829 2.669014 -1.431948
H -1.006823 0.329471 -0.302729
H -1.536432 -3.340613 0.015014
H -2.756082 5.477147 -0.347377
H -2.543557 3.686925 -0.514462
H -1.753039 4.814353 -1.697851
H -5.697851 -0.535837 -0.015039
H -3.778509 -4.410567 0.298434


%chk=000263352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263352

0 1
O 2.359948 -2.337631 1.011927
O 4.634556 -2.861951 0.978800
O -1.119252 4.998305 0.219684
O -4.280289 1.554112 0.786509
O -2.189613 1.124534 1.586598
O -5.923007 -3.827951 -2.012212
O -6.898433 -1.861404 -1.373061
N 0.180473 -1.836305 0.645351
N -0.944301 -1.041427 0.849072
N -3.272277 0.757143 0.929365
N -5.886350 -2.663712 -1.445868
C 3.021041 0.406506 1.777498
C 3.204139 1.180837 0.421059
C 4.070763 -0.720631 1.883733
C 3.778321 -1.742740 0.792585
C 1.600273 -0.187228 1.997471
C 3.457505 0.246237 -0.772791
C 3.777993 -1.131329 -0.606822
C 2.078726 2.201548 0.221796
C 1.318464 -1.428931 1.169195
C 3.469327 0.787568 -2.084061
C 4.081332 -1.928287 -1.736274
C 2.163543 3.463984 0.868696
C 0.889592 1.901277 -0.486386
C 3.770882 -0.009489 -3.205756
C 4.076401 -1.379785 -3.033495
C 1.095434 4.377658 0.839812
C -0.195936 2.803824 -0.525498
C -0.102819 4.042225 0.158181
C -2.142342 -1.425478 0.298533
C -3.309537 -0.568410 0.335461
C -2.270981 -2.695932 -0.359236
C -2.435543 4.635360 -0.326010
C -4.533207 -0.978433 -0.240156
C -3.477995 -3.098701 -0.918683
C -4.610169 -2.233040 -0.852832
H 3.185402 1.137465 2.590325
H 4.143075 1.762604 0.553829
H 5.093693 -0.327924 1.742096
H 4.028506 -1.228496 2.862945
H 0.849158 0.599341 1.816863
H 1.514225 -0.480430 3.064224
H 3.235828 1.849190 -2.219867
H 4.341083 -2.985681 -1.610212
H 4.336246 -3.613869 0.405683
H 3.079881 3.734336 1.409400
H 0.804648 0.947859 -1.021550
H 3.771759 0.433571 -4.207499
H 4.314958 -2.008414 -3.897758
H 1.156840 5.346611 1.344287
H -1.103240 2.533393 -1.073355
H -0.950617 -0.123973 1.339071
H -1.382537 -3.328932 -0.396088
H -3.076421 5.504590 -0.118920
H -2.844724 3.740442 0.180145
H -2.383837 4.467264 -1.419357
H -5.401975 -0.316410 -0.205003
H -3.583212 -4.069163 -1.410440


