%chk=000235553.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235553

0 1
S -3.956691 0.581306 0.062542
O -4.297369 0.604271 -1.591170
O -4.593476 -0.599478 0.582152
O -4.356047 1.891908 0.509578
O 4.855345 0.122975 0.332159
N 2.816932 1.100508 -0.116719
N -0.482541 -3.516852 -0.048330
C 0.558426 0.103694 -0.023392
C -0.281487 -1.048669 0.002494
C 1.985924 -0.067949 -0.066479
C -1.695457 -0.869742 0.017671
C 0.321570 -2.362427 0.004559
C -2.257435 0.386083 0.030923
C -0.060413 1.398867 -0.005199
C -1.422771 1.539160 0.022053
C 2.530989 -1.346208 -0.069253
C 1.708062 -2.484709 -0.025697
C 4.208659 1.126861 0.104382
C 4.806401 2.504649 0.022317
H -2.343935 -1.757071 0.021393
H 0.571971 2.287374 -0.008227
H -1.885090 2.532414 0.044803
H 3.621887 -1.487565 -0.095262
H 2.181097 -3.465673 -0.027368
H 2.328361 1.979330 -0.299923
H -1.426524 -3.453837 0.305063
H -0.037030 -4.394023 0.181395
H -5.105759 1.064820 -1.855889
H 4.661976 2.971735 -0.960543
H 5.896519 2.443970 0.187618
H 4.409107 3.183878 0.787651


%chk=000235553-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235553

0 1
S -4.060712 0.582425 -0.022909
O -4.233278 0.825821 -1.862037
O -4.749088 -0.826642 0.382823
O -4.513152 1.958933 0.699462
O 5.006745 0.127211 0.205465
N 2.864810 1.073505 -0.035023
N -0.492337 -3.539352 0.119897
C 0.590453 0.104176 0.024217
C -0.274658 -1.069904 0.041858
C 2.021867 -0.075165 0.022296
C -1.689161 -0.883191 0.010090
C 0.303347 -2.399515 0.090128
C -2.210601 0.402478 -0.008621
C -0.030130 1.402488 0.018949
C -1.413244 1.573726 0.000072
C 2.551214 -1.380050 0.069127
C 1.708536 -2.513477 0.107699
C 4.258316 1.138694 0.052990
C 4.833133 2.550248 -0.051187
H -2.389004 -1.725299 0.012356
H 0.578122 2.313003 0.047584
H -1.874432 2.564830 0.013887
H 3.635668 -1.502750 0.082807
H 2.167163 -3.508104 0.150110
H 2.398711 1.969590 -0.172944
H -1.505851 -3.502432 0.145866
H -0.055827 -4.456648 0.143745
H -5.188587 1.068039 -2.041361
H 4.073692 3.339586 -0.191261
H 5.542153 2.586885 -0.896118
H 5.407331 2.770494 0.865332


