%chk=000192271.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192271

0 1
S 4.928846 0.524182 -0.598356
O 1.715437 -0.132210 0.693977
O 4.629937 -0.962631 0.181025
O 4.967455 1.500406 0.449401
O 6.015196 0.251558 -1.483841
N -3.731310 0.221391 -0.435037
N -5.768786 -0.159708 -1.350148
N 3.521296 0.716965 -1.504960
C -2.336808 0.092161 -0.134032
C 0.362412 -0.163369 0.435272
C 2.398765 -1.391645 0.982370
C -1.533839 1.249903 -0.032260
C -1.782323 -1.183509 0.053054
C -0.182938 1.126722 0.256959
C -0.419894 -1.318677 0.334358
C 3.816459 -0.953816 1.353877
C -4.611583 1.181525 0.102017
C -4.488783 -0.580672 -1.323131
C -5.855455 0.925995 -0.472940
H 1.885023 -1.896138 1.818474
H 2.383325 -2.018930 0.072951
H -1.974317 2.237603 -0.184933
H -2.410370 -2.074069 -0.013545
H 4.300619 -1.700722 2.018003
H 3.826743 0.040133 1.853819
H 0.460753 2.001589 0.354485
H 0.001864 -2.310130 0.473485
H -4.311589 1.918547 0.819921
H -4.071030 -1.394783 -1.893079
H -6.788190 1.440281 -0.317509
H 3.441053 0.316457 -2.434249
H 2.611433 0.774291 -1.042728


%chk=000192271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192271

0 1
S 4.948407 0.762486 -0.422646
O 1.790718 -0.260599 0.430735
O 4.651834 -1.071879 0.037507
O 4.813706 1.608307 0.943290
O 6.261962 0.760188 -1.343567
N -3.797083 0.219876 -0.386790
N -5.917710 -0.270849 -1.046969
N 3.559808 1.144155 -1.457437
C -2.389585 0.076062 -0.166643
C 0.389683 -0.217204 0.256454
C 2.387736 -1.509026 0.954511
C -1.527181 1.196300 -0.282866
C -1.848264 -1.186253 0.169683
C -0.146660 1.053919 -0.061314
C -0.460112 -1.342512 0.369225
C 3.857547 -1.236023 1.264784
C -4.593483 1.334756 -0.060404
C -4.652782 -0.720008 -0.982409
C -5.887545 1.010483 -0.464910
H 1.858165 -1.806442 1.882139
H 2.292275 -2.311886 0.197411
H -1.932984 2.173796 -0.561679
H -2.511394 -2.047974 0.296095
H 4.296074 -2.110730 1.780729
H 3.967835 -0.347632 1.918682
H 0.522055 1.917985 -0.129264
H -0.067354 -2.331576 0.619988
H -4.191391 2.201597 0.456290
H -4.297374 -1.667263 -1.380094
H -6.791540 1.607412 -0.371664
H 3.723928 0.838284 -2.426547
H 2.690111 0.810949 -0.999621


