%chk=000217672.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217672

0 1
S -2.255648 0.185259 -0.743767
O 0.383947 2.351399 -0.215626
O -2.205938 1.690058 0.317889
O -1.026876 -0.889197 -0.388412
N 1.509472 1.069985 -1.824203
N 1.133835 1.752542 -3.001070
C 2.164785 -0.245537 -2.123855
C 3.261525 -0.549410 -1.123881
C 3.009895 -0.212807 0.230576
C 1.669387 0.413422 0.555894
C 1.150666 1.368153 -0.516086
C 4.485043 -1.150369 -1.490511
C 3.990188 -0.480080 1.211300
C 0.565439 2.935817 -2.953163
C -3.723351 -0.493401 0.233683
C 5.459018 -1.431518 -0.503800
C 5.211046 -1.094633 0.846869
C -4.849833 0.319973 0.459395
C -3.628677 -1.821212 0.682012
C -5.937790 -0.241206 1.166553
C -4.726036 -2.367097 1.388218
C -5.877639 -1.580794 1.623268
H 2.539620 -0.174685 -3.154616
H 1.377966 -1.027042 -2.089744
H 0.884138 -0.371519 0.646761
H 1.680764 0.971549 1.507083
H 4.679491 -1.400196 -2.540349
H 3.801360 -0.213507 2.257935
H 0.320906 3.346485 -3.940922
H 0.326645 3.484499 -2.037502
H -1.287702 2.128793 0.192512
H 6.406966 -1.900849 -0.788942
H 5.966873 -1.301912 1.612394
H -4.866752 1.363573 0.133091
H -2.706155 -2.386027 0.502740
H -6.826144 0.368018 1.363972
H -4.678087 -3.397760 1.755345
H -6.725646 -2.007766 2.170060


%chk=000217672-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217672

0 1
S -2.711748 0.103884 -0.823837
O 0.072568 2.158787 -1.209883
O -1.942381 1.345387 0.312861
O -1.666091 -1.153895 -1.079684
N 1.954700 1.343183 -2.317723
N 2.018395 2.260261 -3.393407
C 2.968265 0.261741 -2.501504
C 3.447004 -0.317812 -1.186457
C 2.534895 -0.384962 -0.105772
C 1.128547 0.141933 -0.304010
C 1.017580 1.291275 -1.298523
C 4.763496 -0.810266 -1.037126
C 2.953326 -0.944881 1.123955
C 1.206779 3.286271 -3.489320
C -3.850100 -0.550113 0.535220
C 5.172726 -1.383091 0.187664
C 4.264669 -1.449309 1.270336
C -4.748048 0.321265 1.179249
C -3.766809 -1.920206 0.832045
C -5.604914 -0.216400 2.167813
C -4.629703 -2.443753 1.822405
C -5.547699 -1.594927 2.484751
H 3.792775 0.711334 -3.075276
H 2.517510 -0.529182 -3.136739
H 0.431569 -0.652975 -0.661716
H 0.684196 0.489998 0.644299
H 5.468808 -0.745307 -1.874402
H 2.251167 -0.988694 1.964649
H 1.383674 3.909254 -4.375526
H 0.410576 3.545467 -2.785589
H -1.193991 1.799068 -0.240150
H 6.193093 -1.765035 0.300612
H 4.579321 -1.885071 2.224880
H -4.761814 1.389899 0.943071
H -3.028734 -2.538292 0.307015
H -6.307943 0.440467 2.691127
H -4.583786 -3.508481 2.075451
H -6.215178 -2.005824 3.250342


