%chk=000145935.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145935

0 1
 O    3.461800      -1.813200      0.2479000    
 O    5.520100     -0.1526000     -0.3040000    
 N   -2.137400       1.458600      0.4184000    
 C  -0.6878000       1.245600      0.6302000    
 C   -2.810500      0.1777000      0.8137000    
 C  -0.5257000     -0.2335000      0.4776000    
 C   -1.750000     -0.8731000      0.6256000    
 C   0.2362000       1.945600     -0.3723000    
 C   0.6717000     -0.8759000      0.1947000    
 C   -4.043600     -6.0199998E-02 -5.0799999E-02
 C   -2.639600       2.608200       1.161900    
 C    1.647800       1.364400     -0.3172000    
 C    1.848100     -2.4400000E-02 -5.9799999E-02
 C   -1.808800      -2.249000      0.5672000    
 C   0.6069000      -2.271200      0.1312000    
 C   -3.683300     -0.1017000      -1.533000    
 C  -0.6180000      -2.947500      0.3256000    
 C   -1.903300       3.865200      0.7402000    
 C    2.742300       2.197100     -0.5875000    
 C    3.161500     -0.5174000     -5.9099998E-02
 C   -4.916800     -0.3119000      -2.396500    
 C  -0.6506000      -4.438800      0.2426000    
 C    4.243900      0.3284000     -0.3156000    
 C    4.035200       1.679400     -0.5812000    
 H  -0.3934000       1.492100       1.661300    
 H   -3.083000      0.1898000       1.877500    
 H   0.3016000       3.019400     -0.1912000    
 H  -0.1314000       1.810700      -1.398900    
 H   -4.783500      0.7299000      0.1276000    
 H   -4.523800      -1.004800      0.2343000    
 H   -3.704500       2.743600      0.9410000    
 H   -2.546600       2.471700       2.246300    
 H   -2.751200      -2.771600      0.6915000    
 H    1.463900      -2.879300     -0.1366000    
 H   -2.979000     -0.9110000      -1.751400    
 H   -3.208800      0.8341000      -1.849000    
 H   -1.817100       3.955700     -0.3476000    
 H   -2.468700       4.740200       1.082900    
 H  -0.9202000       3.944700       1.212000    
 H    2.593700       3.251600     -0.8046000    
 H   -5.409800      -1.258300      -2.152400    
 H   -5.638400      0.4989000      -2.254600    
 H   -4.639400     -0.3371000      -3.455000    
 H  -0.7626000      -4.754200     -0.7994000    
 H   0.2696000      -4.873900      0.6472000    
 H   -1.482000      -4.851500      0.8242000    
 H    4.877000       2.335500     -0.7853000    
 H    2.969100      -2.045300       1.053800    
 H    5.486100      -1.103800     -0.1027000    


%chk=000145935-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145935

0 1
O 3.639046 -1.764748 0.615585
O 5.674073 -0.127683 0.004237
N -2.074129 1.470480 0.502997
C -0.593201 1.275166 0.597207
C -2.782247 0.173199 0.833808
C -0.454948 -0.225311 0.527084
C -1.689702 -0.871754 0.647567
C 0.278435 1.858975 -0.546705
C 0.744112 -0.900945 0.221660
C -4.052948 -0.046655 -0.028564
C -2.625029 2.630882 1.237233
C 1.709390 1.324588 -0.422859
C 1.930206 -0.039459 -0.023077
C -1.752923 -2.277367 0.555101
C 0.665140 -2.318351 0.092631
C -3.795397 -0.094547 -1.549754
C -0.566400 -3.008831 0.274296
C -2.128407 3.989888 0.712709
C 2.819949 2.147315 -0.707367
C 3.263456 -0.484735 0.134565
C -5.101645 -0.206200 -2.364556
C -0.622157 -4.518028 0.095599
C 4.370410 0.352350 -0.162051
C 4.147769 1.669746 -0.597970
H -0.195059 1.661581 1.570973
H -3.104874 0.176737 1.907613
H 0.288051 2.962226 -0.533216
H -0.179905 1.544891 -1.506706
H -4.772947 0.768440 0.191989
H -4.542475 -0.986273 0.304912
H -3.726369 2.592394 1.135726
H -2.401877 2.557917 2.334488
H -2.705533 -2.810780 0.659314
H 1.530104 -2.899167 -0.253683
H -3.132620 -0.949679 -1.787372
H -3.242116 0.820293 -1.834572
H -2.317154 4.076734 -0.371905
H -2.654893 4.812813 1.230545
H -1.046573 4.124667 0.889468
H 2.650005 3.183535 -1.020384
H -5.663262 -1.124132 -2.103810
H -5.766119 0.657534 -2.170491
H -4.896768 -0.235219 -3.450723
H -0.763327 -4.788592 -0.969026
H 0.309171 -5.005064 0.435034
H -1.461576 -4.960172 0.660169
H 5.008637 2.307270 -0.818219
H 2.880777 -2.211165 1.069986
H 5.621548 -1.057860 0.351210


