%chk=000229326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229326

0 1
S -0.979535 -1.456123 1.907327
O -5.043249 -2.530988 -0.826970
N -0.003204 -0.068654 -0.700327
N -0.672506 3.469702 0.554353
C -0.073327 1.429012 -0.635647
C -0.654277 1.978655 0.685960
C 0.989828 -0.642289 0.180558
C -1.305966 -0.703912 -0.712899
C 2.373586 -0.563103 -0.234428
C 0.676755 -1.289158 1.359379
C -1.860846 -1.381085 0.390709
C -0.209248 4.151872 1.807350
C -2.027383 3.956102 0.127397
C 3.371605 -1.088168 0.629022
C 1.675584 -1.844834 2.202304
C -2.026229 -0.662412 -1.918183
C 2.995954 -1.726043 1.856068
C 2.774324 -0.002704 -1.487804
C -3.104389 -1.989816 0.324337
C 1.299955 3.969141 1.974614
C -1.911621 5.354267 -0.482356
C 4.747792 -0.990125 0.249877
C -3.288131 -1.255746 -2.012827
C -3.816167 -1.908375 -0.891804
C 4.101610 0.069483 -1.833005
C 5.102941 -0.420571 -0.947647
C -5.852656 -2.554631 -2.027216
H 0.951867 1.836340 -0.786838
H -0.679104 1.776473 -1.500250
H -1.653797 1.539855 0.888021
H -0.010616 1.660003 1.535092
H -0.436056 5.238013 1.711833
H -0.742451 3.794190 2.714514
H -2.422960 3.256464 -0.642621
H -2.764945 3.960846 0.958920
H 1.379748 -2.354659 3.121050
H -1.595569 -0.163722 -2.787926
H 3.779530 -2.125793 2.497538
H 2.002195 0.349771 -2.175250
H -3.540511 -2.525792 1.167211
H 1.568407 2.925269 2.175665
H 1.832965 4.263174 1.060327
H 1.681174 4.578833 2.799397
H -1.646424 6.108163 0.267574
H -1.126910 5.381265 -1.250783
H -2.853311 5.659300 -0.948834
H 5.504306 -1.380201 0.928844
H -3.833665 -1.208358 -2.949644
H 4.406768 0.495170 -2.787240
H 6.148697 -0.341775 -1.241505
H -6.736814 -3.110860 -1.688109
H -5.334512 -3.093439 -2.825676
H -6.120713 -1.537327 -2.325549


%chk=000229326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229326

0 1
S -0.937655 -1.666208 2.096841
O -5.044753 -2.649461 -0.906242
N -0.019237 -0.045773 -0.358005
N -0.718718 3.581480 0.621110
C 0.015998 1.442843 -0.432751
C -0.616901 2.114381 0.815539
C 1.035446 -0.739836 0.315464
C -1.291440 -0.691775 -0.517723
C 2.391892 -0.674308 -0.192214
C 0.776263 -1.538324 1.442738
C -1.836890 -1.521809 0.500714
C -0.373786 4.375858 1.829246
C -2.003602 3.983337 -0.011547
C 3.459528 -1.306357 0.558789
C 1.818601 -2.215797 2.141515
C -2.038013 -0.531561 -1.708256
C 3.143169 -2.068699 1.730953
C 2.718415 -0.025962 -1.429672
C -3.068548 -2.176002 0.335996
C 1.139727 4.393785 2.116045
C -1.909898 5.309626 -0.790322
C 4.808473 -1.194003 0.084845
C -3.300692 -1.142557 -1.878187
C -3.814010 -1.973711 -0.852261
C 4.040170 0.048933 -1.876091
C 5.100326 -0.520041 -1.102638
C -5.846617 -2.487916 -2.120292
H 1.059562 1.783685 -0.523289
H -0.516165 1.778721 -1.341753
H -1.608990 1.649950 1.022083
H 0.020404 1.896640 1.691036
H -0.710343 5.414596 1.657245
H -0.925741 4.008910 2.731342
H -2.293669 3.180684 -0.716330
H -2.827602 4.045387 0.744430
H 1.565944 -2.829510 3.012509
H -1.619130 0.076758 -2.516800
H 3.951704 -2.556259 2.287126
H 1.907790 0.377241 -2.043721
H -3.476511 -2.828623 1.113241
H 1.534566 3.377921 2.299559
H 1.683704 4.818799 1.254528
H 1.357917 5.004456 3.012257
H -1.651293 6.158411 -0.131633
H -1.132720 5.237588 -1.571174
H -2.878227 5.544223 -1.271076
H 5.610223 -1.663088 0.667879
H -3.852887 -0.982221 -2.808490
H 4.267641 0.535455 -2.831067
H 6.134282 -0.443933 -1.456424
H -6.751188 -3.089730 -1.949294
H -5.309618 -2.867007 -3.011838
H -6.128402 -1.428499 -2.280038


