%chk=000195203.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195203

1 1
S 3.122020 1.092305 -0.722959
S 2.531239 -0.374994 -2.017590
O -2.573683 1.365532 1.286776
O -1.576957 -0.501495 0.446034
N 0.741460 -1.601808 -0.409569
N -4.212194 -1.095511 -0.658325
N -4.481468 -1.995241 -1.274873
C -0.370885 2.288498 0.853331
C -1.325920 1.814068 1.908289
C 0.818837 1.587459 0.624976
C -0.681216 3.414827 0.071243
C 1.656791 1.989021 -0.419827
C 0.185907 3.826238 -0.943893
C 1.357822 3.106159 -1.205329
C 1.981275 -1.699926 -0.999086
C -2.579193 0.199774 0.578195
C 2.740204 -2.861896 -0.856116
C 2.233247 -3.930946 -0.105107
C 0.975196 -3.813426 0.498345
C 0.237635 -2.638224 0.342343
C -3.901415 -0.043879 0.060060
H -0.930403 0.996655 2.536810
H -1.711352 2.633993 2.552917
H 1.085725 0.745631 1.265769
H -1.608019 3.966005 0.255643
H -0.053583 4.710123 -1.541153
H 2.023268 3.422377 -2.014014
H 3.731575 -2.932223 -1.328083
H 2.821051 -4.851475 0.012163
H 0.562455 -4.637957 1.094416
H -0.760563 -2.488613 0.804250
H -4.676235 0.707697 0.300222
H 0.159281 -0.732050 -0.510758


%chk=000195203-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195203

1 1
S 2.958507 1.015538 -0.965962
S 1.821656 -0.597166 -2.270211
O -2.675357 1.457514 1.138736
O -1.539723 -0.479462 0.453909
N 0.580662 -1.949485 -0.181224
N -3.935935 -1.147014 -0.932154
N -4.013481 -2.142383 -1.550077
C -0.429125 2.489089 0.860091
C -1.443633 1.969945 1.853986
C 0.696441 1.702104 0.537137
C -0.614802 3.733422 0.200059
C 1.577297 2.105650 -0.493733
C 0.297385 4.164005 -0.790434
C 1.382698 3.340222 -1.164779
C 1.655592 -1.933866 -1.045822
C -2.578832 0.260230 0.455535
C 2.574247 -3.004424 -0.988398
C 2.387159 -4.050677 -0.056977
C 1.276262 -4.020402 0.819885
C 0.377877 -2.946475 0.734489
C -3.824817 -0.025782 -0.226519
H -1.038023 1.151739 2.472344
H -1.867969 2.758424 2.492868
H 0.877002 0.764220 1.071929
H -1.477825 4.359562 0.453858
H 0.151969 5.127987 -1.287244
H 2.066283 3.642425 -1.964312
H 3.423563 -2.997869 -1.674860
H 3.101231 -4.878444 -0.015708
H 1.102880 -4.812058 1.551984
H -0.509729 -2.843017 1.362090
H -4.683724 0.643561 -0.182283
H -0.153835 -1.190415 -0.183101


