%chk=000187282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187282

0 1
S 3.289405 -0.406047 0.038857
O 1.549237 1.923937 0.043162
O 3.748642 0.129115 -1.220534
O 3.741961 0.116728 1.305812
N -0.515557 0.964182 0.021681
C -1.197257 2.308340 0.020514
C 0.890358 0.902305 0.033450
C 1.502287 -0.470443 0.033729
C -1.334429 -0.229380 0.011083
C -2.051164 2.471321 1.279939
C -2.028242 2.480782 -1.252904
C -1.732170 -0.810933 1.226855
C -1.714297 -0.801626 -1.214745
C 3.666656 -2.127982 0.031301
C -2.520187 -1.963942 1.207411
C -2.502495 -1.954702 -1.215610
C -2.905223 -2.537056 -0.009192
H -0.372055 3.080206 0.030839
H 1.134366 -1.041802 -0.844812
H 1.129196 -1.042551 0.909622
H -2.486382 3.476833 1.324356
H -2.880243 1.755611 1.318383
H -1.452802 2.336711 2.189342
H -1.413659 2.352017 -2.152300
H -2.461827 3.486962 -1.298160
H -2.857014 1.766081 -1.311242
H -1.435578 -0.359026 2.172646
H -1.403799 -0.342644 -2.152652
H 3.289146 -2.668657 0.905284
H 3.312449 -2.654840 -0.860845
H 4.755329 -2.297544 0.044422
H -2.837857 -2.416909 2.146599
H -2.806372 -2.400445 -2.162788
H -3.521321 -3.434701 -0.017105


%chk=000187282-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187282

0 1
S 3.369394 -0.407627 0.039744
O 1.560049 1.958391 0.055978
O 3.885382 0.172258 -1.394154
O 3.894902 0.154967 1.477018
N -0.569103 0.980105 0.022045
C -1.238440 2.328353 0.017894
C 0.827355 0.929167 0.043421
C 1.414322 -0.486843 0.045253
C -1.372575 -0.227026 0.009535
C -2.078230 2.542882 1.294701
C -2.066096 2.541317 -1.266869
C -1.775967 -0.826370 1.229310
C -1.750218 -0.818025 -1.222475
C 3.774105 -2.292514 0.027140
C -2.550130 -2.008442 1.215493
C -2.524353 -2.000119 -1.232871
C -2.925594 -2.597580 -0.014773
H -0.391036 3.037422 0.021865
H 1.164674 -1.064887 -0.858245
H 1.170400 -1.059222 0.953958
H -2.485622 3.569992 1.298235
H -2.931025 1.841423 1.346881
H -1.459357 2.419225 2.200985
H -1.439063 2.416134 -2.167304
H -2.472672 3.568714 -1.275331
H -2.918858 1.840396 -1.326135
H -1.479068 -0.363508 2.176811
H -1.433331 -0.348771 -2.160289
H 3.350432 -2.730725 0.941665
H 3.354289 -2.717179 -0.895486
H 4.872403 -2.328500 0.029359
H -2.858736 -2.467292 2.161165
H -2.812932 -2.452572 -2.187902
H -3.526200 -3.513643 -0.024227


