%chk=000118069.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118069

0 1
 O    5.611600      0.8585000      0.2061000    
 O   -5.600400      0.2558000      0.3313000    
 O   -4.159800     -0.4759000      -1.370900    
 N    4.682300     -0.1151000      -2.877000    
 C    2.345300     -0.7943000      0.1430000    
 C    3.160900      0.5071000      0.2857000    
 C   0.9213000     -0.6857000      0.7022000    
 C   0.1648000      0.4749000     -6.3999998E-03
 C   -1.299700      0.6471000      0.5664000    
 C    2.439100       1.602100     -0.5208000    
 C   0.9872000       1.792000     -4.6900000E-02
 C    4.547000      3.3700000E-02 -0.2483000    
 C    3.269800      -1.864000      0.7191000    
 C   0.1618000      -2.006800      0.5081000    
 C    4.692300      -1.383000      0.3663000    
 C   -1.986300     -0.7151000      0.7324000    
 C   -2.116900       1.509300     -0.4405000    
 C    3.310000      0.9872000       1.758900    
 C   -1.316600      -1.880000      0.6875000    
 C   -1.285300       1.345700       1.947200    
 C   -3.484800     -0.7164000      0.9489000    
 C   -3.619900       1.550000     -0.1581000    
 C   -4.223800      0.1480000     -7.5099997E-02
 C    4.622800     -4.9600001E-02  -1.720200    
 C   -6.352300     -3.2200001E-02 -0.8463000    
 C   -5.470400     -0.9933000      -1.593000    
 H    2.238200      -1.023900     -0.9295000    
 H   0.9699000     -0.4868000       1.779000    
 H   6.1500002E-02  0.1651000      -1.059300    
 H    2.406400       1.347900      -1.586800    
 H    2.979200       2.553400     -0.4448000    
 H    1.003400       2.269300      0.9367000    
 H   0.5045000       2.507100     -0.7227000    
 H    3.066900      -2.850400      0.2893000    
 H    3.157000      -1.948300       1.805800    
 H   0.5405000      -2.745700       1.224600    
 H   0.3450000      -2.415000     -0.4937000    
 H    5.311600      -1.381700       1.271400    
 H    5.167800      -2.086700     -0.3280000    
 H   -1.970600       1.124700      -1.458900    
 H   -1.745200       2.540900     -0.4475000    
 H    2.348600       1.154900       2.251200    
 H    3.853500      0.2703000       2.382500    
 H    3.855300       1.937300       1.801800    
 H   -1.860800      -2.815800      0.7905000    
 H   -2.278800       1.381800       2.406500    
 H  -0.6290000      0.8307000       2.656400    
 H  -0.9492000       2.384800       1.871500    
 H   -3.882200      -1.739200      0.9072000    
 H   -3.703900     -0.3605000       1.963500    
 H   -3.820700       2.103200      0.7674000    
 H   -4.111200       2.117600     -0.9588000    
 H    5.753000      0.7088000       1.155300    
 H   -6.490400      0.9026000      -1.400000    
 H   -7.329400     -0.4487000     -0.5899000    
 H   -5.516900      -2.000400      -1.164700    
 H   -5.690700      -1.044300      -2.662000    


%chk=000118069-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118069

0 1
O 5.719457 0.896218 0.090238
O -5.672377 0.327362 0.297414
O -4.240465 -0.354185 -1.471629
N 4.564961 -0.101387 -2.910653
C 2.357098 -0.805582 0.191989
C 3.182923 0.506384 0.325402
C 0.919662 -0.697360 0.739811
C 0.176878 0.479096 0.027483
C -1.293346 0.676406 0.562923
C 2.463481 1.618910 -0.468657
C 1.009222 1.795649 0.044272
C 4.581055 0.020407 -0.239422
C 3.292559 -1.909677 0.752537
C 0.156341 -2.023660 0.513677
C 4.728652 -1.441698 0.350916
C -2.000240 -0.686420 0.705271
C -2.089281 1.526474 -0.489031
C 3.404979 0.945286 1.798003
C -1.339779 -1.873967 0.666127
C -1.310064 1.399514 1.946022
C -3.511130 -0.661485 0.904216
C -3.603502 1.629603 -0.200737
C -4.238405 0.240711 -0.111898
C 4.580104 -0.029537 -1.720785
C -6.494257 -0.130187 -0.845008
C -5.533688 -1.052618 -1.616082
H 2.253790 -0.992113 -0.901961
H 0.954761 -0.499245 1.831837
H 0.078611 0.170115 -1.038606
H 2.441233 1.347515 -1.542680
H 3.011769 2.577502 -0.388881
H 1.035033 2.211120 1.069085
H 0.508693 2.556805 -0.583303
H 3.055449 -2.903058 0.335468
H 3.191831 -1.984226 1.852091
H 0.527389 -2.798853 1.214611
H 0.385534 -2.408498 -0.505470
H 5.408191 -1.399573 1.223230
H 5.198588 -2.114285 -0.384948
H -1.957293 1.065359 -1.487306
H -1.664330 2.546844 -0.537347
H 2.446092 1.091389 2.320427
H 3.975152 0.201834 2.386596
H 3.945507 1.909029 1.832218
H -1.922169 -2.804456 0.741224
H -2.316024 1.379954 2.400251
H -0.622672 0.909264 2.658938
H -1.014625 2.460144 1.850748
H -3.924304 -1.684622 0.844785
H -3.773125 -0.271749 1.908803
H -3.792103 2.152822 0.754830
H -4.109456 2.202902 -0.997999
H 5.868948 0.838991 1.068565
H -6.807740 0.733801 -1.462807
H -7.378256 -0.643893 -0.433104
H -5.489313 -2.063637 -1.163689
H -5.742699 -1.128439 -2.694404


