%chk=000147525.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000147525

0 1
S -5.761929 1.553730 0.154930
O 7.524127 0.918934 0.086772
O 7.565492 -1.313265 -0.059968
N 3.470734 1.257096 0.132139
C -4.491579 -1.420490 -0.012153
C -5.918975 -1.134947 0.523366
C -3.583360 -0.194064 0.076562
C -4.546451 -1.861442 -1.486794
C -3.917747 -2.567639 0.847247
C -6.625200 -0.002333 -0.192597
C -4.064370 1.119253 0.144186
C -2.190558 -0.378920 0.050885
C -3.198741 2.221295 0.218767
C -1.312011 0.713850 0.121044
C -1.821696 2.024959 0.211968
C 0.088478 0.504872 0.099500
C 1.285080 0.322955 0.080985
C 2.688654 0.130714 0.060664
C 3.241301 -1.168042 -0.029118
C 4.626335 -1.308348 -0.045688
C 5.433621 -0.160167 0.027014
C 4.812880 1.106825 0.115136
C 6.895650 -0.307726 0.009579
H -5.866418 -0.927275 1.613521
H -6.526403 -2.060070 0.434631
H -5.206818 -2.723344 -1.624164
H -4.910160 -1.055860 -2.135434
H -3.555420 -2.145189 -1.858203
H -2.953427 -2.922452 0.466601
H -3.762537 -2.251468 1.885137
H -4.588990 -3.432819 0.860098
H -6.678547 -0.169639 -1.285442
H -7.666476 0.122367 0.165949
H -1.777770 -1.386750 -0.024085
H -3.597710 3.236652 0.278484
H -1.138690 2.872851 0.271218
H 2.588346 -2.037377 -0.083868
H 5.092342 -2.297052 -0.114264
H 5.416608 2.026941 0.173601
H 8.516136 0.833685 0.075994


%chk=000147525-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147525

0 1
S -5.863255 1.553501 -0.160761
O 7.692899 0.950117 0.200187
O 7.642654 -1.374389 0.215730
N 3.561652 1.308137 0.097011
C -4.529844 -1.441227 -0.089194
C -5.790379 -1.147524 0.786941
C -3.583908 -0.222528 -0.045773
C -4.937801 -1.703708 -1.571196
C -3.865114 -2.724090 0.475536
C -6.736796 -0.088929 0.215654
C -4.093116 1.112027 -0.082462
C -2.181240 -0.381595 -0.005593
C -3.209550 2.224818 -0.076830
C -1.280693 0.722648 -0.011434
C -1.820711 2.041962 -0.050371
C 0.130387 0.516170 0.023063
C 1.359123 0.345564 0.052984
C 2.774525 0.167460 0.087254
C 3.339858 -1.146441 0.110952
C 4.733776 -1.291770 0.145373
C 5.548789 -0.128283 0.155991
C 4.908215 1.141262 0.130732
C 7.021188 -0.282802 0.192836
H -5.462701 -0.852870 1.802517
H -6.371048 -2.086119 0.891459
H -5.692636 -2.511161 -1.629738
H -5.351528 -0.800246 -2.052896
H -4.054843 -2.015447 -2.157523
H -3.011177 -3.056856 -0.140566
H -3.508597 -2.576335 1.511602
H -4.600124 -3.549966 0.479613
H -7.203306 -0.426951 -0.723148
H -7.527824 0.167905 0.939154
H -1.753698 -1.387019 0.029680
H -3.624248 3.238804 -0.091482
H -1.145710 2.903288 -0.050478
H 2.677587 -2.016502 0.101939
H 5.210682 -2.276858 0.164321
H 5.509644 2.055561 0.138092
H 8.672669 0.780695 0.225025


