%chk=000295796.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295796

0 1
S 3.582262 -3.689078 0.193561
O 2.762047 2.763485 0.766689
O 0.575397 2.360654 0.344288
N -0.128663 -0.267242 -0.069718
N 1.635328 -1.840558 0.062050
N 3.916585 -1.102954 0.520076
C -1.099394 -1.358827 -0.348281
C -2.481581 -0.776735 -0.508183
C -3.144981 -0.242337 0.603035
C -4.435684 0.292259 0.463702
C 1.194804 -0.512034 0.128393
C -3.101779 -0.779347 -1.764937
C 2.135573 0.540242 0.400791
C -5.055976 0.282623 -0.795893
C -4.388839 -0.251517 -1.900732
C -5.130920 0.869976 1.652656
C 3.491269 0.171528 0.585457
C 1.708313 1.925822 0.483268
C 2.949300 -2.057418 0.258885
C 2.486318 4.200438 0.843613
C 2.381990 4.776204 -0.552488
C 2.138978 -4.706659 -0.153119
H -1.076024 -2.104014 0.485526
H -0.775353 -1.920400 -1.258273
H -0.486672 0.705574 -0.034033
H -2.659225 -0.237667 1.577623
H -2.587081 -1.185718 -2.632959
H -6.056498 0.693603 -0.914201
H -4.873879 -0.254013 -2.876547
H -5.159139 0.158480 2.490255
H -4.612946 1.772333 2.011840
H -6.168738 1.158728 1.441735
H 4.248712 0.945366 0.793336
H 1.567182 4.351208 1.437506
H 3.378259 4.547858 1.396433
H 2.334697 5.871118 -0.533408
H 3.239951 4.487668 -1.173591
H 1.476488 4.414545 -1.063460
H 1.664715 -4.436380 -1.106178
H 1.374216 -4.616035 0.630036
H 2.469785 -5.751880 -0.205851


%chk=000295796-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295796

0 1
S 2.583617 -3.608738 1.361100
O 2.654677 3.027472 0.856135
O 0.792979 2.705644 -0.515029
N -0.013222 0.141748 -0.908642
N 1.234646 -1.542801 0.170221
N 3.164304 -1.009029 1.573965
C -0.924674 -0.821214 -1.546636
C -2.380119 -0.649894 -1.117456
C -2.720440 -0.543145 0.252444
C -4.068828 -0.427989 0.673751
C 1.026242 -0.205923 -0.097110
C -3.411231 -0.636446 -2.088132
C 1.906730 0.792189 0.483622
C -5.086918 -0.425388 -0.314536
C -4.760479 -0.527672 -1.685494
C -4.410646 -0.301002 2.148967
C 2.954132 0.306220 1.308946
C 1.716046 2.221907 0.216592
C 2.269261 -1.866985 0.974136
C 2.553159 4.500173 0.612109
C 3.309220 4.892376 -0.660063
C 1.204969 -4.440099 0.391085
H -0.555634 -1.826727 -1.277347
H -0.849421 -0.718349 -2.646662
H -0.133953 1.158008 -1.056257
H -1.919520 -0.547207 1.003077
H -3.159835 -0.710597 -3.153554
H -6.136336 -0.338665 -0.008076
H -5.557022 -0.518265 -2.438077
H -3.930869 -1.098889 2.745286
H -4.059389 0.665321 2.558530
H -5.499606 -0.359351 2.317886
H 3.647563 1.015659 1.769250
H 1.485570 4.772632 0.546257
H 3.005361 4.939438 1.515564
H 3.298601 5.992404 -0.773599
H 4.360654 4.560622 -0.612262
H 2.833262 4.450218 -1.551119
H 1.317594 -4.219753 -0.679749
H 0.229231 -4.080566 0.746843
H 1.319122 -5.518442 0.582937


