%chk=000235510.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235510

0 1
S 2.315506 -0.127432 -0.088388
O 2.616121 -1.482399 -0.507382
O 2.959784 1.006135 -0.718887
N -2.480651 -1.965557 -0.225532
N 2.770483 -0.047010 1.571906
C 0.603218 0.108231 -0.055852
C -2.181499 0.481260 0.005481
C -1.634283 -0.831836 -0.069563
C -0.238467 -1.004522 -0.100832
C 0.076093 1.395931 0.012024
C -1.312319 1.574956 0.043719
C -3.658555 0.694699 0.031396
H 0.187724 -2.010141 -0.181540
H 0.734451 2.268677 0.028779
H -1.717548 2.585845 0.093654
H -4.118870 0.260012 0.929431
H -3.930303 1.759585 0.020520
H -4.141106 0.239280 -0.848812
H -3.385605 -1.892390 0.219571
H -2.045304 -2.854061 -0.010300
H 3.105078 -0.898668 2.016294
H 3.353653 0.732004 1.868910


%chk=000235510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235510

0 1
S 2.404944 -0.104227 -0.057866
O 2.704899 -1.602975 -0.626709
O 3.087374 1.237855 -0.680927
N -2.501447 -1.948368 0.002889
N 2.870724 -0.174788 1.728372
C 0.543320 0.150785 -0.020226
C -2.225487 0.493459 0.005132
C -1.668529 -0.831350 -0.000680
C -0.255436 -0.996642 -0.011381
C 0.053227 1.463772 -0.028917
C -1.354615 1.604456 -0.015257
C -3.730205 0.676539 0.016842
H 0.206364 -1.989752 -0.040396
H 0.727515 2.322802 -0.074225
H -1.787361 2.611376 -0.023680
H -4.192276 0.218335 0.914740
H -4.001976 1.744711 0.017186
H -4.206672 0.216691 -0.872874
H -3.511548 -1.850732 -0.004875
H -2.109490 -2.885430 -0.011793
H 3.415788 -1.042914 1.865601
H 3.408486 0.678996 1.953643


