%chk=000284688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284688

0 1
S 2.677483 0.655386 0.289599
O -6.001180 0.993335 -1.625499
O -4.507954 2.611081 -1.114787
N -2.258404 -2.684178 1.901620
N 0.952808 -1.692644 0.991644
N 0.237397 -3.991571 0.683385
N 3.643639 -1.120138 -1.457589
N 1.057107 -4.229517 -0.237455
N 2.838375 -3.459804 -1.679112
N 4.574214 -2.623503 -3.034894
C -0.877204 -2.556971 2.406470
C -2.833624 -1.657101 1.120908
C 0.165194 -2.715617 1.318492
C 1.863478 -1.925784 -0.018624
C -4.040432 -1.949183 0.435157
C -2.299876 -0.349030 1.078992
C 2.768574 -0.898516 -0.478417
C 3.926239 1.657374 -0.581234
C -4.177632 0.362751 -0.287101
C 3.821415 2.994345 0.073561
C -4.702437 -0.942114 -0.253514
C -2.973440 0.647036 0.383539
C 1.952857 -3.200593 -0.675819
C 2.885648 3.934120 -0.388643
C 4.656648 3.318110 1.155008
C -4.850751 1.452106 -1.010708
C 3.658791 -2.410191 -2.038379
C 2.790612 5.185321 0.225599
C 4.556840 4.571809 1.763663
C 3.625245 5.506698 1.300941
C -6.809305 1.962263 -2.362614
C -7.638695 2.781129 -1.394537
H -0.746590 -1.569689 2.918684
H -0.719929 -3.344113 3.186051
H -2.495594 -3.640996 1.621598
H -4.454907 -2.953995 0.455838
H -1.360733 -0.115702 1.579310
H 4.932362 1.201678 -0.486464
H 3.714150 1.690186 -1.669417
H -5.638054 -1.155336 -0.780035
H -2.569644 1.664223 0.347283
H 2.229376 3.689522 -1.223272
H 5.381179 2.593452 1.523378
H 2.061886 5.911148 -0.134100
H 5.206114 4.820014 2.602249
H 3.548613 6.482415 1.777766
H -7.414906 1.289170 -2.995840
H -6.137485 2.586662 -2.978566
H 5.177398 -1.879004 -3.347352
H 4.617886 -3.518152 -3.502721
H -6.999245 3.444968 -0.792575
H -8.187757 2.140261 -0.693130
H -8.366651 3.409481 -1.919237


%chk=000284688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284688

0 1
S 2.476918 0.600244 0.554515
O -5.931655 1.170590 -1.581625
O -4.204012 2.641137 -1.014156
N -2.287511 -2.991725 1.667998
N 0.905656 -1.956134 1.098485
N 0.332388 -4.305296 0.726751
N 3.612660 -1.130555 -1.255056
N 1.276664 -4.464938 -0.225419
N 2.981320 -3.499365 -1.568558
N 4.653918 -2.486062 -2.848079
C -0.983979 -2.988002 2.340367
C -2.849974 -1.894939 1.013588
C 0.165785 -3.061071 1.349222
C 1.852545 -2.090661 0.117362
C -4.105831 -2.054528 0.347215
C -2.224129 -0.609843 1.000900
C 2.700906 -0.982131 -0.284034
C 3.751202 1.657953 -0.427983
C -4.099750 0.310707 -0.301048
C 3.675595 3.085868 0.051499
C -4.717360 -0.971511 -0.296768
C -2.850216 0.467904 0.355173
C 2.051829 -3.339125 -0.575818
C 2.680901 3.964705 -0.452444
C 4.599361 3.573658 1.011525
C -4.703349 1.484638 -0.969648
C 3.711768 -2.389789 -1.860818
C 2.614285 5.303410 -0.009176
C 4.535761 4.913722 1.454513
C 3.542641 5.782079 0.945267
C -6.632657 2.297425 -2.260005
C -7.497018 3.079367 -1.265224
H -0.868812 -2.080297 2.956825
H -0.941841 -3.867580 3.004067
H -2.719044 -3.903625 1.516123
H -4.593356 -3.037495 0.347153
H -1.246951 -0.461508 1.468879
H 4.734580 1.194555 -0.258216
H 3.478791 1.537625 -1.487827
H -5.677502 -1.099709 -0.803961
H -2.375136 1.454609 0.340196
H 1.956553 3.596270 -1.188793
H 5.368931 2.902135 1.411207
H 1.841365 5.970808 -0.405643
H 5.257406 5.278676 2.193683
H 3.491605 6.821196 1.288769
H -7.241013 1.800500 -3.033375
H -5.877646 2.952150 -2.730058
H 5.212485 -1.671397 -3.088955
H 4.773688 -3.375271 -3.327971
H -6.865802 3.573625 -0.507998
H -8.211480 2.410669 -0.754424
H -8.072380 3.858935 -1.799105


