%chk=000280037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280037

0 1
S 4.985243 0.057771 0.429981
O 4.739080 3.030181 0.758444
O -5.312211 1.467935 0.125257
O -5.583170 -0.995558 -0.306746
N 1.560319 2.146076 -0.896799
C 2.479093 2.324795 0.266066
C 3.915995 2.499042 -0.279796
C 0.219848 1.633841 -0.472597
C -0.676861 1.494170 -1.716200
C -1.960612 0.795825 -1.361043
C 4.508037 1.220655 -0.870202
C -3.014623 1.537179 -0.776990
C -2.113350 -0.566467 -1.596848
C -4.198831 0.896218 -0.444991
C -3.312504 -1.226870 -1.263630
C -4.352329 -0.509358 -0.691706
C 3.632632 -1.049232 0.659564
C 3.758622 -1.915238 1.748503
C 2.743073 -2.851741 2.000799
C 2.523183 -1.092879 -0.183390
C 1.618271 -2.901153 1.160179
C 1.513602 -2.025353 0.077196
C 2.871203 -3.786715 3.159044
C -5.257471 2.888530 0.403634
C -5.831376 -2.404108 -0.532925
H 2.420903 1.435704 0.931749
H 2.231465 3.200579 0.904670
H 3.952675 3.321007 -1.038674
H -0.277245 2.274971 0.286327
H 0.362711 0.634672 0.000945
H -0.129729 0.936715 -2.506632
H -0.887080 2.487905 -2.159359
H 1.447566 3.045224 -1.380137
H 5.436482 1.447177 -1.434514
H 3.794903 0.766343 -1.592179
H -2.882401 2.599209 -0.597393
H -1.306768 -1.141727 -2.046152
H 4.875834 2.384355 1.487453
H -3.404414 -2.290758 -1.461675
H 4.631497 -1.875110 2.399202
H 2.428113 -0.408511 -1.031133
H 0.826958 -3.621966 1.351673
H 0.638217 -2.066707 -0.570833
H 3.720807 -4.471921 3.021065
H 3.043361 -3.242549 4.098738
H 1.977985 -4.407343 3.306312
H -4.470263 3.105345 1.130674
H -5.128549 3.455008 -0.522632
H -6.251559 3.063896 0.836467
H -6.855271 -2.509109 -0.149923
H -5.132729 -3.013640 0.046481
H -5.788131 -2.634013 -1.601020


%chk=000280037-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280037

0 1
S 5.018057 0.403721 0.984407
O 4.383717 3.476910 1.162064
O -5.590379 1.971262 -0.682691
O -6.078347 -0.591267 -0.228695
N 1.430544 1.972918 -0.641021
C 2.237635 2.439743 0.510218
C 3.681624 2.775089 0.078180
C 0.046156 1.568553 -0.297308
C -0.704537 1.061693 -1.554263
C -2.114984 0.589410 -1.235520
C 4.500024 1.568478 -0.424803
C -3.180525 1.525123 -1.133994
C -2.391201 -0.771937 -0.994226
C -4.487944 1.115336 -0.797836
C -3.697452 -1.201174 -0.655031
C -4.753626 -0.271361 -0.552134
C 3.853644 -1.027240 0.884675
C 4.247240 -2.176977 1.610742
C 3.438929 -3.341456 1.622542
C 2.644841 -1.020342 0.150863
C 2.230179 -3.334770 0.880414
C 1.845821 -2.186485 0.152750
C 3.878319 -4.570531 2.401108
C -5.359526 3.395232 -0.926572
C -6.378200 -2.001585 0.022329
H 2.257605 1.633550 1.271048
H 1.820937 3.347235 1.005348
H 3.648910 3.523961 -0.738976
H -0.539537 2.393916 0.175544
H 0.102963 0.753296 0.449413
H -0.111024 0.241632 -1.999868
H -0.734846 1.879334 -2.304080
H 1.429392 2.671408 -1.400323
H 5.458768 1.916983 -0.841997
H 3.953429 0.989997 -1.186389
H -2.975448 2.583283 -1.329533
H -1.585623 -1.511650 -1.073633
H 4.585118 2.800775 1.866116
H -3.883059 -2.264582 -0.477292
H 5.194211 -2.173132 2.165085
H 2.314835 -0.132823 -0.405840
H 1.594165 -4.227675 0.873266
H 0.908580 -2.190658 -0.416857
H 4.800788 -5.007438 1.973706
H 4.094047 -4.323596 3.457060
H 3.100457 -5.353054 2.388460
H -4.631641 3.816819 -0.205320
H -5.003996 3.576752 -1.960195
H -6.340662 3.871121 -0.783495
H -7.453290 -2.026389 0.252844
H -5.801851 -2.390755 0.884855
H -6.173039 -2.624350 -0.870838


