%chk=000275031.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275031

0 1
S 1.184731 -0.219710 0.885017
O -1.170354 -0.944955 1.282459
O 0.370766 0.534492 -1.522423
N 5.529057 1.141938 0.797212
C -2.425649 0.536687 -0.259826
C -3.796296 -0.052312 0.123097
C -2.103689 1.785794 0.584136
C -1.318981 -0.541322 -0.087308
C -4.905468 1.001527 0.025266
C -3.224236 2.828879 0.490296
C -4.582979 2.233548 0.880538
C 2.745002 0.510868 0.229795
C 0.062853 0.018384 -0.487610
C -1.590541 -1.800696 -0.890146
C 3.810723 -0.579738 0.272999
C 3.123742 1.683194 1.129277
C 5.179089 0.007010 -0.120986
C 4.502542 2.234350 0.718992
C -1.854724 -3.010308 -0.234985
C -1.582545 -1.748218 -2.292338
C 6.880669 1.680440 0.458040
C -2.122440 -4.161861 -0.980887
C -1.852330 -2.901779 -3.031660
C -2.125130 -4.108683 -2.377887
H -2.449882 0.832721 -1.338990
H -3.755612 -0.467674 1.148804
H -4.034410 -0.909826 -0.537475
H -1.151575 2.240930 0.247181
H -1.949395 1.493999 1.643939
H -5.868320 0.560111 0.344957
H -5.044982 1.303912 -1.030815
H -3.273983 3.230895 -0.540808
H -2.986825 3.690878 1.142081
H -5.376837 2.994584 0.763111
H -4.580312 1.957459 1.952284
H 2.570479 0.854597 -0.819708
H 3.554814 -1.416621 -0.404377
H 3.885056 -1.016918 1.291483
H 3.165430 1.364167 2.192423
H 2.369748 2.490218 1.075296
H 5.171942 0.301063 -1.192350
H 5.960462 -0.775143 -0.003777
H 4.804735 3.033236 1.430490
H 4.440591 2.701507 -0.287131
H -1.449427 -0.213118 1.892606
H -1.840221 -3.045125 0.857664
H -1.350541 -0.812576 -2.804817
H 7.626140 0.877998 0.580032
H 7.142992 2.470236 1.180311
H 6.977898 2.092305 -0.556913
H -2.325852 -5.101641 -0.470283
H -1.845812 -2.861197 -4.119623
H -2.334614 -5.006005 -2.957267


%chk=000275031-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000275031

0 1
S 1.291982 -0.540687 1.145162
O -1.473983 -1.089165 1.543430
O 0.302302 0.619350 -1.151203
N 5.607979 1.195074 0.615114
C -2.445954 0.518069 -0.115104
C -3.897730 0.000307 0.035955
C -2.213765 1.760089 0.787253
C -1.393950 -0.617502 0.159493
C -4.926573 1.118007 -0.259631
C -3.238583 2.878318 0.477179
C -4.690013 2.365979 0.622811
C 2.821151 0.337646 0.401732
C 0.034200 -0.067457 -0.139736
C -1.614626 -1.846196 -0.742711
C 3.982596 -0.665184 0.262109
C 3.228884 1.536121 1.279765
C 5.236999 0.065612 -0.269391
C 4.511303 2.186938 0.713567
C -1.889474 -3.113373 -0.176014
C -1.553827 -1.711544 -2.153003
C 6.887978 1.815441 0.221569
C -2.117332 -4.230056 -1.011856
C -1.780732 -2.829503 -2.984524
C -2.066954 -4.093608 -2.417765
H -2.288023 0.836256 -1.165434
H -4.040873 -0.378793 1.067989
H -4.066692 -0.854973 -0.643662
H -1.185528 2.147936 0.654410
H -2.328596 1.477584 1.857661
H -5.952198 0.729944 -0.106579
H -4.852327 1.409830 -1.328062
H -3.078120 3.236820 -0.560426
H -3.064587 3.743347 1.145944
H -5.406525 3.166840 0.355950
H -4.880334 2.104687 1.684640
H 2.481879 0.686212 -0.592824
H 3.704677 -1.484646 -0.425400
H 4.220471 -1.109406 1.246791
H 3.428167 1.194782 2.312827
H 2.414937 2.283544 1.315506
H 5.042169 0.416686 -1.318582
H 6.086222 -0.641528 -0.311400
H 4.837063 3.006242 1.381388
H 4.282624 2.643344 -0.287204
H -1.344272 -0.317845 2.151941
H -1.922592 -3.209593 0.911743
H -1.309581 -0.741702 -2.600672
H 7.688876 1.054392 0.230004
H 7.158623 2.603518 0.947072
H 6.862677 2.278380 -0.798231
H -2.332540 -5.206502 -0.563017
H -1.729188 -2.714512 -4.073108
H -2.242785 -4.961017 -3.064068


