%chk=000150940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150940

1 1
 S   -2.689500       1.080800     -0.7499000    
 S    2.454200       1.123200      0.1368000    
 N   -3.559800      -1.072000      0.1977000    
 N    3.711900      -1.218700     -0.1860000    
 C   -4.658500     -0.2433000      0.1650000    
 C    4.727900     -0.2593000     -1.2400000E-02
 C   -2.505200     -0.5043000     -0.2436000    
 C    2.440600     -0.6440000     -0.1340000    
 C   -4.366000       1.017600     -0.3399000    
 C    4.244300       1.055200      0.1754000    
 C   -5.957700     -0.5698000      0.5792000    
 C    6.102400     -0.4771000     -8.6000003E-03
 C   -1.191600      -1.167600     -0.3162000    
 C    1.250100      -1.251200     -0.2603000    
 C   -3.624800      -2.434000      0.6852000    
 C    4.056100      -2.612400     -0.3908000    
 C   -5.357800       2.002000     -0.4513000    
 C    5.096200       2.134700      0.3638000    
 C  -7.8999996E-03 -0.5475000     -0.1881000    
 C   -6.950300      0.4090000      0.4697000    
 C    6.969300      0.6047000      0.1804000    
 C   -6.653800       1.673900     -3.7400000E-02
 C    6.469900       1.900200      0.3652000    
 H   -6.223900      -1.546900      0.9682000    
 H    6.521400      -1.468700     -0.1489000    
 H   -1.205000      -2.242300     -0.4840000    
 H    1.199200      -2.323100     -0.4271000    
 H   -3.898600      -3.099000     -0.1396000    
 H   -2.672700      -2.759400       1.114400    
 H   -4.357700      -2.533000       1.490400    
 H    4.661000      -2.733000      -1.296400    
 H    3.174700      -3.249200     -0.5087000    
 H    4.619200      -3.002200      0.4646000    
 H   -5.135200       2.988500     -0.8450000    
 H    4.713800       3.139900      0.5072000    
 H  -2.3200000E-02  0.5185000     -1.9999999E-04
 H   -7.965800      0.1796000      0.7818000    
 H    8.043300      0.4383000      0.1840000    
 H   -7.442200       2.418600     -0.1136000    
 H    7.159500       2.727100      0.5105000    


%chk=000150940-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150940

1 1
S -2.667278 1.272633 0.063088
S 2.648875 1.313228 -0.028126
N -3.698052 -1.165065 0.144758
N 3.766848 -1.085423 -0.004292
C -4.832585 -0.307705 0.141104
C 4.863835 -0.184084 -0.040840
C -2.469465 -0.530575 0.105480
C 2.512587 -0.500827 0.010394
C -4.475021 1.066680 0.100356
C 4.462570 1.176305 -0.059768
C -6.195452 -0.678651 0.172172
C 6.234689 -0.523235 -0.058396
C -1.220014 -1.182840 0.098077
C 1.271167 -1.168393 0.050052
C -3.793080 -2.638573 0.186104
C 4.014332 -2.541426 0.014503
C -5.438635 2.087245 0.091005
C 5.396426 2.223229 -0.097134
C 0.021734 -0.518263 0.058719
C -7.169203 0.342237 0.162512
C 7.178895 0.524644 -0.095871
C -6.800965 1.710408 0.122868
C 6.769322 1.881656 -0.115289
H -6.508612 -1.725716 0.202471
H 6.566413 -1.565013 -0.042681
H -1.219749 -2.278363 0.123242
H 1.273965 -2.263411 0.076806
H -3.341025 -3.079804 -0.718834
H -3.284155 -3.031416 1.082981
H -4.847950 -2.937767 0.228269
H 4.592579 -2.832752 -0.878935
H 3.068480 -3.096253 0.011464
H 4.579809 -2.814495 0.921987
H -5.150837 3.141898 0.059832
H 5.080681 3.270166 -0.111730
H 0.013298 0.582703 0.032727
H -8.228149 0.067979 0.186120
H 8.245803 0.282375 -0.109806
H -7.574456 2.483796 0.116377
H 7.520174 2.676665 -0.144267


