%chk=000195395.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195395

0 1
S 5.103217 -2.771610 0.112719
O -4.358592 2.259888 -0.143010
O 0.653338 -1.641859 0.201740
O 5.923763 1.836620 -0.205205
N -1.444723 2.763930 0.009482
N -4.027859 0.231314 0.848655
N 1.406337 0.534152 0.084147
N 4.055821 -0.382115 -0.014217
N -3.811319 -2.285373 -1.264050
N -5.437274 -3.317056 0.198280
N 6.503423 -0.411918 -0.124639
C -2.102290 1.549433 0.199368
C 0.132397 1.153244 0.099890
C -1.127401 0.530292 0.254535
C -0.078351 2.548562 -0.046980
C -3.571559 1.411208 0.265422
C -5.457153 -0.147798 0.786504
C -2.079268 4.079858 -0.101387
C -5.766846 -1.000895 -0.455057
C 1.579330 -0.847097 0.134108
C -4.982651 -2.295950 -0.455280
C 3.005543 -1.322604 0.103832
C 3.371840 -2.635226 0.182068
C 5.232837 -0.978231 -0.024792
C 6.780724 0.994542 -0.213871
H -1.287741 -0.526008 0.379445
H 0.645920 3.329300 -0.180709
H -5.717195 -0.708687 1.713903
H -6.082706 0.778331 0.764369
H -3.383066 -0.472371 1.197418
H -1.632735 4.670230 -0.919442
H -1.981711 4.647504 0.841288
H -3.170453 3.972935 -0.319851
H -5.586431 -0.418557 -1.382498
H -6.855886 -1.238136 -0.466734
H 2.224298 1.154325 0.017228
H 2.721846 -3.495330 0.273627
H -3.117071 -3.002478 -1.118505
H -3.408399 -1.396264 -1.520546
H -4.924772 -4.191960 0.198358
H 7.291131 -1.066897 -0.134198
H 7.866887 1.175352 -0.287912


%chk=000195395-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195395

0 1
S 5.171276 -2.797220 -0.176574
O -4.310550 2.524329 -0.286127
O 0.539209 -1.850279 -0.021558
O 5.606213 2.028494 -0.068179
N -1.336321 2.800002 0.089249
N -4.098229 0.372554 0.599529
N 1.352782 0.370392 0.032162
N 3.926342 -0.425135 -0.066240
N -3.610674 -2.458379 -0.594921
N -5.596703 -3.319897 0.512710
N 6.344000 -0.230626 -0.129582
C -2.087700 1.616339 0.158331
C 0.134623 1.073321 0.084377
C -1.186709 0.529600 0.151289
C 0.014343 2.478820 0.054420
C -3.571580 1.571129 0.141118
C -5.507731 -0.003315 0.437665
C -1.855075 4.180340 0.146517
C -5.701095 -1.146786 -0.601605
C 1.493802 -1.006364 -0.017756
C -4.957353 -2.417728 -0.201783
C 2.930071 -1.420002 -0.069372
C 3.379245 -2.727369 -0.121970
C 5.135534 -0.932109 -0.116274
C 6.513403 1.171997 -0.105333
H -1.417548 -0.532316 0.152368
H 0.781728 3.249270 0.009693
H -5.921683 -0.330602 1.409060
H -6.047082 0.901538 0.110016
H -3.460240 -0.327738 0.982280
H -1.231413 4.830358 -0.489524
H -1.835268 4.561411 1.183809
H -2.892242 4.178162 -0.219724
H -5.375783 -0.791267 -1.597512
H -6.773828 -1.394138 -0.651207
H 2.235921 0.898384 0.018943
H 2.778334 -3.633179 -0.131449
H -3.021976 -3.261652 -0.375780
H -3.231824 -1.761935 -1.235428
H -5.004799 -4.136755 0.777298
H 7.202633 -0.786394 -0.160891
H 7.599146 1.421345 -0.124545


