%chk=000127417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127417

0 1
 O  -0.5678000      0.3246000       1.717800    
 O    1.195700      0.1417000       3.171600    
 N    3.610900      0.3589000     -0.4271000    
 C  -0.8057000      0.1532000      0.2906000    
 C    1.535200     -8.8799998E-02  0.7729000    
 C   0.5890000      0.4951000     -0.2633000    
 C    2.887100      0.5992000      0.7884000    
 C   0.7514000      0.1395000       2.034700    
 C   -1.890200       1.137300     -0.1471000    
 C   -1.253600      -1.287100      8.2999999E-03
 C    3.849600      -1.078600     -0.6367000    
 C    4.897700       1.074300     -0.4381000    
 C   -2.886400       1.528500      0.7510000    
 C  -0.9591000      -1.882400      -1.219200    
 C   -1.889700       1.650000      -1.446600    
 C   -1.955300      -2.003700      0.9786000    
 C    4.613600      -1.333000      -1.919700    
 C    4.701400       2.571300     -0.3161000    
 C   -3.876100       2.426700      0.3517000    
 C   -1.366000      -3.191600      -1.475900    
 C   -2.879500       2.548200      -1.845700    
 C   -2.362100      -3.313100      0.7218000    
 C   -3.872600       2.936600     -0.9464000    
 C   -2.067400      -3.907000     -0.5055000    
 H    1.602600      -1.178100      0.6880000    
 H   0.7169000       1.588000     -0.2823000    
 H   0.8059000      0.1451000      -1.275000    
 H    3.460000      0.2587000       1.662400    
 H    2.701800       1.666800      0.9536000    
 H    4.382500      -1.530500      0.2092000    
 H    2.904400      -1.614700     -0.7604000    
 H    5.566200      0.7191000      0.3562000    
 H    5.413600      0.9359000      -1.393000    
 H   -2.919200       1.139700       1.764900    
 H  -0.4421000      -1.350400      -2.010400    
 H   -1.134400       1.355500      -2.169600    
 H   -2.205300      -1.561700       1.938900    
 H    4.198600     -0.7697000      -2.762600    
 H    5.680600      -1.107800      -1.826500    
 H    4.547700      -2.396000      -2.179500    
 H    3.939000       2.939200      -1.011400    
 H    4.431800       2.876900      0.6994000    
 H    5.638000       3.086800     -0.5573000    
 H   -4.651000       2.727300       1.050800    
 H   -1.142800      -3.652100      -2.433900    
 H   -2.878700       2.943400      -2.857300    
 H   -2.910400      -3.869500       1.476300    
 H   -4.643900       3.634900      -1.257700    
 H   -2.385900      -4.925600     -0.7062000    


%chk=000127417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127417

0 1
O -0.613114 0.246074 1.798304
O 1.094136 -0.065174 3.338871
N 3.779170 0.221183 -0.215539
C -0.776620 0.145838 0.297239
C 1.563697 -0.219633 0.879605
C 0.672779 0.377144 -0.228135
C 2.965762 0.416815 1.010631
C 0.730392 -0.026807 2.152036
C -1.792086 1.212934 -0.117928
C -1.294444 -1.271342 -0.036400
C 4.383671 -1.139396 -0.279520
C 4.779538 1.306332 -0.419251
C -2.902464 1.495994 0.716388
C -1.435636 -1.657704 -1.394171
C -1.667780 1.891012 -1.355293
C -1.655882 -2.189000 0.979244
C 4.721090 -1.585123 -1.714833
C 4.152181 2.621656 -0.918677
C -3.868844 2.444653 0.319176
C -1.914085 -2.941784 -1.730202
C -2.640468 2.834380 -1.756641
C -2.136393 -3.475644 0.641665
C -3.744834 3.114360 -0.921002
C -2.265239 -3.858886 -0.711551
H 1.668653 -1.313401 0.729464
H 0.872251 1.460565 -0.316536
H 0.851354 -0.089724 -1.207600
H 3.461155 0.006671 1.922945
H 2.838922 1.501044 1.180557
H 5.295883 -1.206621 0.365788
H 3.654790 -1.855156 0.144700
H 5.367899 1.496643 0.513857
H 5.501848 0.955306 -1.177952
H -2.991677 0.984394 1.679590
H -1.187772 -0.950358 -2.194646
H -0.810709 1.694506 -2.009527
H -1.568297 -1.892914 2.028699
H 3.813306 -1.565057 -2.342863
H 5.475625 -0.930644 -2.187068
H 5.127591 -2.613599 -1.712390
H 3.605208 2.446639 -1.861709
H 3.443896 3.051124 -0.186791
H 4.938731 3.377772 -1.099979
H -4.718417 2.661888 0.976192
H -2.018326 -3.224634 -2.783756
H -2.532869 3.352031 -2.716476
H -2.411345 -4.175734 1.438594
H -4.497749 3.848193 -1.229540
H -2.638477 -4.855814 -0.970966


