%chk=000068692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068692

0 1
 S    1.805400       1.234500     -0.6211000    
 O    4.763900      -2.205400      0.3927000    
 O    5.932700      0.5917000       1.942400    
 O   6.2700003E-02  -2.550600      -1.549400    
 O    7.195100      0.6023000      3.5399999E-02
 N    4.096900     -8.8900000E-02 -0.4050000    
 N    1.555200      -1.751500      3.7700001E-02
 N   -6.710900     -0.1109000      0.1417000    
 N   -5.392200       1.871600      0.1045000    
 C    2.940400     -8.6000003E-03  -1.278700    
 C    2.658700      -1.474200     -0.8812000    
 C    4.048700      -1.420900     -0.1854000    
 C    4.850300      0.9833000     -4.9600001E-02
 C    3.021300       2.586800     -0.7741000    
 C    4.413200       2.250300     -0.2441000    
 C   0.3317000      -2.274700     -0.3830000    
 C    5.223000       3.490800      4.8099998E-02
 C    6.132800      0.7068000      0.6147000    
 C  -0.6345000      -2.462700      0.7701000    
 C   -1.905700      -1.670000      0.6183000    
 C   -1.971200     -0.3808000       1.127800    
 C   -2.992900      -2.239100     -2.9600000E-02
 C   -4.247400     -0.2072000      0.3372000    
 C   -7.735400       1.881700     -0.7347000    
 C   -7.979800      0.5625000     -1.9800000E-02
 C   -5.511900      0.5810000      0.1869000    
 C   -6.632200       2.651800     -1.7200001E-02
 C   -3.148100      0.3544000      0.9866000    
 C   -4.169800      -1.503900     -0.1710000    
 H    3.209900      0.1211000      -2.333600    
 H    2.663100      -2.162600      -1.735600    
 H    1.673200      -1.545600       1.026800    
 H    2.607900       3.433800     -0.2163000    
 H    3.094300       2.883200      -1.826300    
 H    6.242900       3.270700      0.3751000    
 H    4.742600       4.078900      0.8370000    
 H    5.297600       4.110700     -0.8516000    
 H  -0.8639000      -3.534500      0.8304000    
 H  -0.1645000      -2.216600       1.730100    
 H   -1.120000      6.5099999E-02   1.634700    
 H   -2.940400      -3.245900     -0.4342000    
 H   -8.656100       2.473800     -0.7670000    
 H   -7.431000       1.689600      -1.771500    
 H   -8.425200      0.7371000      0.9656000    
 H   -8.668000     -6.4900003E-02 -0.5949000    
 H    6.765700      0.4066000       2.426600    
 H   -6.411300       3.565500     -0.5794000    
 H   -6.960800       2.958900      0.9824000    
 H   -3.186300       1.359400       1.398200    
 H   -5.001800      -1.961500     -0.6986000    
 H   -6.742800      -1.114200      0.2953000    


%chk=000068692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068692

0 1
S 1.775036 1.445003 0.091294
O 4.549438 -1.960389 0.987279
O 7.272957 1.340474 0.369846
O 0.231582 -3.174070 -0.778953
O 6.780280 -0.561556 -0.865767
N 4.036130 -0.057730 -0.463553
N 1.312405 -1.630056 0.586452
N -6.503696 -0.024603 -0.774558
N -5.758785 1.653701 0.794037
C 2.633434 0.069551 -0.894996
C 2.378534 -1.390228 -0.353979
C 3.840589 -1.300119 0.215827
C 4.980075 0.991858 -0.342846
C 3.100118 2.719985 -0.385812
C 4.566303 2.306565 -0.326814
C 0.283949 -2.528433 0.309173
C 5.493934 3.505265 -0.316239
C 6.392708 0.500742 -0.331004
C -0.790206 -2.650410 1.397164
C -2.035167 -1.828566 1.058561
C -2.502274 -0.819332 1.938771
C -2.745026 -2.058876 -0.146273
C -4.376452 -0.308208 0.435857
C -7.543734 2.198020 -0.924921
C -7.739190 0.683762 -1.151254
C -5.604162 0.506193 0.158201
C -6.986590 2.436442 0.499625
C -3.655427 -0.070045 1.633184
C -3.898135 -1.306995 -0.453944
H 2.493148 0.251646 -1.970487
H 2.268394 -2.123851 -1.171699
H 1.310733 -1.116278 1.469742
H 2.934391 3.563449 0.308440
H 2.857654 3.083642 -1.402456
H 6.517282 3.257258 -0.627851
H 5.558135 3.927836 0.705621
H 5.095431 4.301482 -0.974002
H -1.050184 -3.722859 1.457199
H -0.393134 -2.347008 2.382731
H -1.964423 -0.624236 2.875027
H -2.375426 -2.813243 -0.849971
H -8.503179 2.727018 -1.070889
H -6.822610 2.587907 -1.667467
H -8.600135 0.324102 -0.547987
H -7.969308 0.475557 -2.213358
H 8.178639 0.926608 0.343347
H -6.746665 3.505566 0.644618
H -7.763577 2.183737 1.253260
H -4.022296 0.717680 2.298200
H -4.393776 -1.483351 -1.416468
H -6.372623 -0.981901 -1.096506


