%chk=000170131.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170131

1 1
 S  -0.9512000      0.3068000     -0.2724000    
 F  -0.1427000     -2.1199999E-02   2.163700    
 F   0.8260000      -1.309800      0.7098000    
 F    1.054700       2.158500       1.254100    
 F    2.400700      0.5651000       1.840200    
 F    3.225500       2.113200     -0.2071000    
 F    1.460400       1.652800      -1.368700    
 F    2.077200     -0.9833000      -1.415500    
 F    3.575700      0.3650000      -2.218300    
 F    3.535700      -1.358100      0.8491000    
 F    4.544300      -1.809900      -1.019700    
 F    4.907500       1.078100      0.9513000    
 F    5.903800      0.5460000     -0.9139000    
 F    6.182500     -0.6905000      0.8528000    
 O   -1.246300       1.725600     -0.2059000    
 O  -0.6027000     -0.3060000      -1.540500    
 O   -3.596300      -3.860100      0.4017000    
 O   -3.738800      -2.291400      -1.239700    
 N   -6.129600       1.185000     -0.4365000    
 N   -2.263600     -0.5684000      0.4068000    
 C   -4.681200       1.053800     -0.1439000    
 C   -4.502000      0.2044000       1.108000    
 C   -3.036900      6.1500002E-02   1.504500    
 C   0.3619000     -4.7800001E-02  0.8968000    
 C    1.523100      0.9370000      0.8647000    
 C    2.300900       1.135000     -0.4292000    
 C   -6.774100     -0.1944000     -0.6325000    
 C   -6.857000       1.891500      0.7160000    
 C   -6.356200       2.002900      -1.715700    
 C   -2.139900      -2.036700      0.5746000    
 C    3.009700     -6.0899999E-02  -1.050500    
 C    4.083500     -0.7816000     -0.2495000    
 C   -3.231300      -2.701800     -0.2067000    
 C    5.276900      3.9700001E-02  0.1721000    
 H   -4.266100       2.059100     -5.5000000E-03
 H   -4.203200      0.5969000      -1.017800    
 H   -4.905000     -0.8037000      0.9809000    
 H   -5.003600      0.6465000       1.973600    
 H   -2.633700       1.051100       1.745900    
 H   -2.954300     -0.5179000       2.431000    
 H   -6.168100     -0.7622000      -1.343900    
 H   -6.860200     -0.7100000      0.3268000    
 H   -7.780300     -4.2500000E-02  -1.036700    
 H   -6.307300       2.803700      0.9653000    
 H   -7.866600       2.143100      0.3753000    
 H   -6.936700       1.223500       1.576600    
 H   -5.917200       2.993800      -1.566700    
 H   -5.863000       1.483600      -2.542700    
 H   -7.431700       2.082200      -1.898800    
 H   -2.181700      -2.324300       1.629400    
 H   -1.195000      -2.406700      0.1671000    
 H   -4.312000      -4.319700     -8.7099999E-02


%chk=000170131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170131

1 1
S -1.195250 0.034674 -0.123776
F -0.056956 0.080982 2.437445
F 0.976859 -1.375187 1.034451
F 1.038210 2.246923 1.299677
F 2.639550 0.759736 1.962700
F 3.160601 2.304879 -0.330395
F 1.258660 1.498075 -1.317886
F 2.214144 -1.037978 -1.353247
F 3.533182 0.525891 -2.370140
F 3.971746 -1.302130 0.739402
F 4.863317 -1.607240 -1.341661
F 5.299512 1.123528 1.010924
F 6.003444 1.070966 -1.150764
F 6.693601 -0.520717 0.312792
O -1.696269 1.573626 -0.183983
O -0.877157 -0.887597 -1.409164
O -3.429733 -4.159516 -0.436077
O -4.467761 -2.111742 -0.793258
N -6.143382 1.238628 -0.458851
N -2.430571 -0.850511 0.845436
C -4.726055 0.932918 0.090725
C -4.681471 0.190562 1.433221
C -3.204455 -0.087288 1.842519
C 0.518682 -0.068144 1.167271
C 1.636462 1.002200 0.990407
C 2.317044 1.181191 -0.422484
C -6.976429 -0.039410 -0.572036
C -6.862882 2.251557 0.424353
C -5.965956 1.833232 -1.858026
C -2.470563 -2.301052 0.694131
C 3.129981 0.018114 -1.117812
C 4.395685 -0.634374 -0.434512
C -3.568660 -2.799243 -0.259166
C 5.619465 0.283509 -0.063273
H -4.196370 1.899191 0.144334
H -4.243282 0.304973 -0.674971
H -5.220215 -0.769866 1.365110
H -5.128177 0.781032 2.255969
H -2.688719 0.873769 2.019714
H -3.192238 -0.643661 2.798915
H -6.361869 -0.823455 -1.038836
H -7.288154 -0.362028 0.431909
H -7.867973 0.176774 -1.180739
H -6.273520 3.180653 0.459964
H -7.857926 2.455686 -0.000532
H -6.973781 1.840156 1.437699
H -5.298879 2.706355 -1.796303
H -5.518532 1.070821 -2.513092
H -6.949258 2.135839 -2.249503
H -2.619572 -2.782522 1.680369
H -1.510919 -2.686501 0.302417
H -4.112714 -4.529777 -1.058668


