%chk=000206271.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206271

0 1
S 0.709533 -1.449897 0.208112
O 0.221518 -2.612458 -0.511686
O 0.436631 -1.347000 1.625490
N -0.021275 -0.078134 -0.567621
N 1.414793 1.694446 0.323805
C -1.391222 -0.349847 -1.095906
C -2.469387 -0.171991 -0.015898
C 0.422701 1.274372 -0.395232
C -0.336344 2.352171 -1.195503
C -3.857775 -0.516177 -0.565520
C 2.392059 -1.257726 -0.087434
C -4.942676 -0.320651 0.502122
C 3.067173 -0.146416 0.435754
C 2.287233 0.902507 1.193115
C -1.275823 3.098924 -0.245793
C 0.640790 3.300652 -1.893091
C -6.335779 -0.665262 -0.043102
C 3.087832 -2.227400 -0.817006
C 4.447976 -0.015458 0.235860
C 4.463520 -2.095902 -1.017646
C 5.140238 -0.990474 -0.487395
C -7.418957 -0.472034 1.015760
H -1.593683 0.324206 -1.963754
H -1.413613 -1.390368 -1.506930
H -2.453789 0.875242 0.365268
H -2.241694 -0.806043 0.866135
H -0.951915 1.850513 -1.992998
H -4.084181 0.109560 -1.450092
H -3.870672 -1.565411 -0.922941
H -4.930807 0.723251 0.869452
H -4.719711 -0.950902 1.385465
H 1.727719 0.441939 2.053244
H 2.975822 1.647733 1.667099
H -0.715624 3.606086 0.551846
H -1.986882 2.407579 0.237794
H -1.855327 3.861404 -0.775948
H 1.323697 2.758237 -2.556168
H 1.265836 3.837942 -1.164039
H 0.108704 4.048829 -2.488841
H -6.561230 -0.037570 -0.927156
H -6.349635 -1.712666 -0.403902
H 2.551659 -3.090990 -1.230061
H 4.977972 0.848713 0.634419
H 5.007374 -2.849827 -1.584190
H 6.215659 -0.887587 -0.642741
H -7.245678 -1.109383 1.890700
H -7.458678 0.564397 1.369413
H -8.409381 -0.722229 0.619542


%chk=000206271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206271

0 1
S 0.705616 -1.491323 0.417680
O 0.157890 -2.742022 -0.468264
O 0.462531 -1.520680 2.026913
N -0.071507 0.057485 -0.382814
N 1.422768 1.763735 0.625573
C -1.401035 -0.281144 -0.953061
C -2.567535 -0.201053 0.057168
C 0.385964 1.371013 -0.064824
C -0.410998 2.493669 -0.788429
C -3.925727 -0.527244 -0.602716
C 2.515087 -1.208653 -0.024319
C -5.105642 -0.469131 0.393789
C 3.141149 -0.072591 0.522944
C 2.368502 0.917326 1.388766
C -0.344581 3.824386 -0.009699
C 0.152220 2.657281 -2.226827
C -6.471763 -0.778352 -0.259922
C 3.128844 -2.153485 -0.856248
C 4.503017 0.109192 0.177164
C 4.491355 -1.945334 -1.175828
C 5.170500 -0.818007 -0.657485
C -7.644395 -0.717166 0.742636
H -1.577356 0.375980 -1.823637
H -1.324353 -1.312012 -1.349538
H -2.606847 0.810874 0.508538
H -2.375412 -0.909360 0.886695
H -1.472308 2.195409 -0.854066
H -4.115955 0.183766 -1.434765
H -3.881501 -1.538505 -1.057812
H -5.143846 0.537195 0.861208
H -4.923565 -1.188042 1.219108
H 1.840942 0.365214 2.195084
H 3.089747 1.600088 1.869049
H 0.701191 4.150087 0.105665
H -0.773701 3.717708 1.002131
H -0.913739 4.601581 -0.554112
H 0.103648 1.715605 -2.803800
H 1.209458 2.973624 -2.178337
H -0.416858 3.429745 -2.775586
H -6.651751 -0.060272 -1.086149
H -6.433431 -1.784575 -0.724918
H 2.561301 -3.007901 -1.238243
H 5.035086 0.983301 0.568875
H 5.012191 -2.657123 -1.824034
H 6.225384 -0.659466 -0.905969
H -7.501378 -1.444955 1.563529
H -7.725477 0.288230 1.197614
H -8.609030 -0.945197 0.253073


