%chk=000150047.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150047

0 1
 O    2.403500      -1.798700      -1.744400    
 O   0.3379000      -1.006600      -2.247400    
 O    6.434000      0.7878000     -0.1412000    
 O    5.516700     -0.5236000       1.466300    
 O  -1.3800000E-02  -3.043600     -0.3985000    
 O  -0.3318000      -2.877700       1.767400    
 N   0.4581000     -0.2540000      0.5666000    
 N   -3.316900       1.434000     -0.1141000    
 N  -0.6808000      -2.653500      0.5863000    
 C    1.537100     -7.3700003E-02 -0.3455000    
 C  -0.8354000      0.2887000      0.3372000    
 C    2.879300     -0.2860000      0.3686000    
 C   -1.966800     -0.5268000      0.2343000    
 C  -0.9459000       1.677400      0.2143000    
 C   -3.205000      9.6900001E-02  4.9999999E-03
 C   -2.223900       2.214900     -1.4100000E-02
 C    4.094900      0.3796000     -0.2906000    
 C   -1.884900      -1.925100      0.3536000    
 C    1.335500     -0.9843000      -1.538300    
 C   0.1743000       2.521000      0.3133000    
 C   -4.335100     -0.7097000     -9.8499998E-02
 C   -2.340500       3.596900     -0.1373000    
 C   -3.029800      -2.708900      0.2462000    
 C   -4.257400      -2.099600      1.9700000E-02
 C   3.0900000E-02   3.899400      0.1863000    
 C   -1.229300       4.438100     -3.9500002E-02
 C    5.395000      0.1371000      0.4441000    
 H    1.580400      0.9108000     -0.8169000    
 H    2.803400      0.1359000       1.381700    
 H    3.076400      -1.354300      0.5293000    
 H   0.5690000     -0.8806000       1.354600    
 H    3.931900       1.462700     -0.3309000    
 H    4.219700      8.5000005E-03  -1.312900    
 H    1.161400       2.188200      0.6125000    
 H   -5.308500     -0.2560000     -0.2760000    
 H   -3.317600       4.043400     -0.3129000    
 H   -2.986200      -3.791800      0.3357000    
 H   -5.157100      -2.701800     -6.5899998E-02
 H   0.8926000       4.551600      0.2912000    
 H   -1.353300       5.512900     -0.1333000    
 H    2.269300      -2.388800      -2.516300    
 H    7.273700      0.6486000      0.3465000    


%chk=000150047-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150047

0 1
O 1.158550 -2.243403 -1.295536
O 2.255138 -0.761177 -2.712670
O 6.611625 0.680885 -0.499310
O 5.490119 0.909693 1.519855
O -0.888144 -4.170082 0.314637
O -0.176819 -2.596597 1.796368
N 0.561765 -0.349921 0.501780
N -3.279350 1.425149 -0.208399
N -0.961107 -2.991570 0.832176
C 1.665815 -0.028456 -0.414343
C -0.723529 0.181297 0.385319
C 3.025189 -0.032758 0.343793
C -1.919212 -0.632991 0.301328
C -0.872966 1.618063 0.333793
C -3.167781 0.072536 -0.032288
C -2.162555 2.190325 -0.003066
C 4.230229 0.344987 -0.540242
C -2.033041 -2.080647 0.368098
C 1.729482 -1.007423 -1.606532
C 0.202591 2.512807 0.659967
C -4.383824 -0.662880 -0.263476
C -2.294950 3.618215 -0.115363
C -3.226322 -2.763063 0.091696
C -4.416852 -2.051165 -0.219210
C 0.036925 3.894792 0.579163
C -1.215875 4.453972 0.157459
C 5.456652 0.664777 0.293765
H 1.508317 0.967593 -0.861943
H 2.943811 0.682952 1.181294
H 3.185522 -1.027440 0.801530
H 0.630528 -1.265542 0.967979
H 4.003814 1.241032 -1.152724
H 4.490212 -0.442976 -1.267198
H 1.139495 2.098512 1.044438
H -5.270054 -0.063349 -0.489980
H -3.276779 4.007206 -0.401084
H -3.226573 -3.854478 0.152464
H -5.344509 -2.600253 -0.404748
H 0.859366 4.560529 0.861819
H -1.326434 5.541092 0.082123
H 1.240786 -2.871810 -2.062657
H 7.395743 0.920866 0.066123


