%chk=000200053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200053

0 1
O 0.830103 2.683244 0.359803
O -2.931277 -2.331832 -0.134386
O 1.346146 -4.011709 0.277938
N -1.220469 2.329045 -0.806885
N 0.781303 -1.884479 -0.375367
C 0.459581 0.531751 -0.604293
C -0.220182 1.734778 0.144563
C -0.301371 -0.831337 -0.403492
C -1.090677 -0.995937 0.913069
C -1.907081 0.266567 1.241840
C -0.866638 1.376625 1.491639
C 0.369627 0.972703 -2.088526
C 1.884303 0.180255 -0.252492
C -0.874772 1.869626 -2.195327
C -1.869056 -2.326031 0.846724
C -2.864207 0.676833 0.141804
C -2.638452 2.061755 -0.427929
C 2.048226 -1.233708 -0.186527
C -0.992733 -3.481429 0.325800
C 0.475780 -3.180820 0.106714
C -3.851072 -0.105103 -0.309628
C 2.982509 1.003447 -0.070505
C -4.080418 -1.509802 0.155141
C 3.286518 -1.822602 0.039362
C 0.452021 4.081445 0.515254
C 4.240237 0.418461 0.168064
C 4.387736 -0.967979 0.213511
C 1.648044 4.704535 1.214527
H -0.982525 -1.031901 -1.269161
H -0.352790 -1.114226 1.757503
H -2.499264 0.091269 2.173881
H -1.323857 2.267955 1.956959
H -0.079951 1.054441 2.200931
H 0.329927 0.112655 -2.775579
H 1.281630 1.539319 -2.360922
H -0.663640 2.782274 -2.792062
H -1.710889 1.338500 -2.689867
H -2.311748 -2.564554 1.838103
H -3.294188 2.259614 -1.303690
H -2.921807 2.827279 0.334382
H -1.427006 -3.833552 -0.646508
H -1.072951 -4.362404 0.996620
H -4.532321 0.233147 -1.090068
H 2.863423 2.090084 -0.100143
H -4.337275 -1.563884 1.228202
H -4.865829 -2.022725 -0.436240
H 3.390246 -2.908309 0.085228
H 0.285267 4.488187 -0.497377
H -0.474536 4.158174 1.105649
H 5.105259 1.060702 0.315922
H 5.370551 -1.403935 0.390873
H 1.486178 5.769488 1.409652
H 1.853019 4.205635 2.170703
H 2.557951 4.604065 0.608513


%chk=000200053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200053

0 1
O 0.862788 2.745469 0.445800
O -3.100380 -2.293110 -0.270432
O 1.317344 -4.131394 0.167474
N -1.184755 2.164291 -0.765000
N 0.833529 -1.889414 -0.316361
C 0.572915 0.527594 -0.516342
C -0.177117 1.705543 0.213993
C -0.227496 -0.831347 -0.406655
C -1.137058 -1.051846 0.827861
C -1.924067 0.220420 1.250952
C -0.854474 1.306604 1.541423
C 0.538743 1.048619 -1.990736
C 1.984899 0.126345 -0.093808
C -0.875861 1.653812 -2.129794
C -1.927267 -2.377771 0.624502
C -2.937935 0.749074 0.225948
C -2.603046 2.129193 -0.328578
C 2.105305 -1.289754 -0.076112
C -1.038605 -3.462470 -0.056148
C 0.472070 -3.209578 -0.048073
C -3.993057 0.011224 -0.208389
C 3.125967 0.919171 0.133447
C -4.199210 -1.426273 0.218968
C 3.334846 -1.939045 0.165870
C 0.350307 4.086934 0.772612
C 4.368374 0.286713 0.388268
C 4.467845 -1.125095 0.402005
C 1.521340 5.063264 0.640659
H -0.832384 -0.988972 -1.320069
H -0.454516 -1.260662 1.680668
H -2.466757 -0.023211 2.189725
H -1.309948 2.194076 2.016259
H -0.082201 0.925329 2.232482
H 0.734835 0.242989 -2.718341
H 1.311906 1.826314 -2.108627
H -0.910986 2.464369 -2.881213
H -1.612275 0.877604 -2.436311
H -2.277438 -2.723952 1.622416
H -3.244495 2.378581 -1.191703
H -2.772864 2.916305 0.432919
H -1.378646 -3.511094 -1.109683
H -1.204213 -4.458321 0.382063
H -4.681576 0.428012 -0.955416
H 3.032486 2.006855 0.125806
H -4.273921 -1.519168 1.325631
H -5.113492 -1.849652 -0.228113
H 3.388442 -3.028898 0.174131
H -0.466942 4.339670 0.067218
H -0.051058 4.101748 1.809350
H 5.259511 0.897008 0.572545
H 5.435909 -1.601266 0.595183
H 1.197442 6.089463 0.895459
H 2.345215 4.780299 1.319322
H 1.908624 5.065000 -0.393157


