%chk=000178487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178487

0 1
 S   -3.929300      0.7071000     -9.9999997E-05
 O   -4.514500      0.2876000      -1.269700    
 O   -4.537700      0.2998000       1.263100    
 N   -1.862900      -1.138200      5.0000002E-04
 N   -1.242400      0.9951000      7.9999998E-04
 N    1.554900       1.828300     -5.0000002E-04
 N    3.514800     -0.1744000      1.9999999E-04
 C  -0.4922000      -1.154600      8.9999998E-04
 C  -0.1269000      0.1870000      1.0000000E-03
 C   -2.264000      0.1685000      6.0000003E-04
 C    1.242800      0.5141000      3.9999999E-04
 C   0.4339000      -2.194500      7.9999998E-04
 C    1.788700      -1.833600      7.9999998E-04
 C    2.211100     -0.5046000      5.0000002E-04
 C   -2.727400      -2.296100      6.9999998E-04
 C    2.802600      -2.937200      1.6000000E-03
 C   -3.820100       2.487200     -3.0000001E-04
 C    3.828300       1.138800     -1.9999999E-04
 C    2.866900       2.121800     -5.0000002E-04
 C    5.273500       1.497500     -3.9999999E-04
 H   0.1243000      -3.233600      3.9999999E-04
 H   -3.371200      -2.248200      0.8823000    
 H   -2.140000      -3.214900      3.4800000E-02
 H   -3.324300      -2.281100     -0.9145000    
 H    3.434100      -2.874100     -0.8909000    
 H    2.333200      -3.927000      1.2000001E-03
 H    3.432800      -2.874100      0.8950000    
 H   -3.299500       2.811500      0.9027000    
 H   -4.837100       2.885600     -6.3999998E-03
 H   -3.289600       2.810700     -0.8978000    
 H    3.113100       3.177000     -1.0000000E-03
 H    5.521000       2.082100     -0.8921000    
 H    5.901100      0.6003000      9.9999997E-05
 H    5.521000       2.082900      0.8907000    


%chk=000178487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178487

0 1
S -4.106767 0.673731 -0.000983
O -4.761642 0.159363 -1.407624
O -4.764645 0.165007 1.406388
N -1.903887 -1.155666 0.003243
N -1.289284 1.061736 0.002155
N 1.645207 1.938024 0.001189
N 3.577118 -0.182111 0.000337
C -0.498980 -1.129317 0.001541
C -0.137984 0.253061 0.001150
C -2.288751 0.180774 0.001713
C 1.246912 0.614201 0.000716
C 0.455059 -2.183594 0.000704
C 1.814810 -1.862916 0.000062
C 2.218883 -0.464380 0.000318
C -2.804520 -2.323310 0.001600
C 2.879111 -2.936666 -0.000927
C -3.965814 2.582068 -0.004166
C 3.956896 1.117019 0.000849
C 2.972181 2.167285 0.001245
C 5.434029 1.432366 0.001042
H 0.143093 -3.232958 -0.000002
H -3.472725 -2.282343 0.878183
H -2.204416 -3.243356 0.043239
H -3.418201 -2.325401 -0.914793
H 3.536900 -2.837829 -0.882388
H 2.430467 -3.944043 -0.001447
H 3.537456 -2.838999 0.880262
H -3.419108 2.855861 0.906742
H -5.009837 2.924244 -0.005037
H -3.418439 2.852950 -0.915513
H 3.288797 3.216818 0.001602
H 5.717845 2.025140 -0.888345
H 6.011521 0.495442 0.000748
H 5.717714 2.024496 0.890896


