%chk=000001248.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001248

1 1
 O  -0.5561000       1.738700      -1.256200    
 O   0.6763000      -3.216600       1.164100    
 O  -0.7348000      -4.258000     -0.4875000    
 O    3.617300      0.2860000      -1.443300    
 O    4.697500      0.2834000      0.7125000    
 O   0.9170000      0.9595000      -2.862800    
 N   -3.084400       1.704200      0.4932000    
 C   -1.664500       1.147000      0.8315000    
 C   -3.467300       1.313700     -0.9364000    
 C  -0.5515000       1.983500      0.1772000    
 C   -1.479800     -0.3135000      0.4524000    
 C   -3.478100     -0.1983000      -1.127400    
 C   -2.308300     -0.9270000     -0.5194000    
 C   -4.105400       1.153400       1.504500    
 C   -3.149100       3.231600      0.6133000    
 C   0.8179000       1.575600      0.5652000    
 C  -0.4473000      -1.052600       1.059400    
 C   -2.099200      -2.271700     -0.8737000    
 C    1.506400       1.154400     -0.5570000    
 C  -0.2699000      -2.366600      0.6806000    
 C   0.6385000       1.251000      -1.717000    
 C   -1.072700      -2.959400     -0.2616000    
 C    1.429500       1.582900       1.817800    
 C    2.803000      0.7302000     -0.4559000    
 C    3.412700      0.7314000      0.7773000    
 C    2.757100       1.150100       1.928000    
 C   0.3763000      -4.414100      0.4185000    
 C    4.819100      1.2000001E-03 -0.6977000    
 H   -1.588500       1.239500       1.923500    
 H   -2.788200       1.810500      -1.631700    
 H   -4.468300       1.720100      -1.128100    
 H  -0.6460000       3.059600      0.3437000    
 H   -3.513800     -0.4041000      -2.204600    
 H   -4.398400     -0.6142000     -0.6982000    
 H   -4.043600      6.3600004E-02   1.534400    
 H   -3.864300       1.564600       2.489600    
 H   -5.105000       1.470300       1.192600    
 H   -2.722000       3.520500       1.577800    
 H   -2.603100       3.683300     -0.2189000    
 H   -4.198900       3.536500      0.5551000    
 H   0.1565000     -0.6549000       1.863400    
 H   -2.735000      -2.762100      -1.604100    
 H   0.8905000       1.919900       2.697500    
 H    3.256600       1.144700       2.890800    
 H   0.1427000      -5.218600       1.125400    
 H    1.263000      -4.699300     -0.1592000    
 H    5.637300      0.6050000      -1.106800    
 H    5.066900      -1.059100     -0.8230000    


%chk=000001248-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001248

1 1
O -0.573694 1.876387 -1.305349
O 0.403855 -3.435742 1.359708
O -0.923792 -4.399073 -0.397125
O 3.793226 0.404868 -1.503545
O 4.882099 0.452651 0.639038
O 0.841399 1.084681 -3.003626
N -3.080890 1.675284 0.506911
C -1.641917 1.130020 0.821362
C -3.443599 1.358576 -0.967350
C -0.529357 2.017265 0.163771
C -1.555977 -0.351021 0.461141
C -3.474331 -0.146807 -1.241400
C -2.354058 -0.925684 -0.563885
C -4.069799 1.008885 1.463666
C -3.184906 3.183910 0.706678
C 0.888380 1.619900 0.556804
C -0.605256 -1.141756 1.179784
C -2.197891 -2.298991 -0.913858
C 1.571853 1.215339 -0.625707
C -0.465245 -2.475801 0.810525
C 0.696176 1.329499 -1.805735
C -1.245283 -3.044449 -0.224206
C 1.516342 1.663710 1.809404
C 2.910802 0.830498 -0.514069
C 3.543043 0.863428 0.755868
C 2.884875 1.272022 1.920140
C 0.147973 -4.697024 0.599606
C 5.100135 0.159669 -0.805520
H -1.534078 1.261095 1.917115
H -2.666171 1.848034 -1.572843
H -4.424245 1.828901 -1.155483
H -0.699004 3.083658 0.400732
H -3.415036 -0.274257 -2.338328
H -4.449868 -0.576938 -0.939184
H -3.928300 -0.079465 1.437265
H -3.882737 1.382426 2.482729
H -5.093446 1.268971 1.152880
H -2.748512 3.458760 1.679852
H -2.667598 3.706387 -0.109687
H -4.250685 3.460118 0.690429
H 0.003583 -0.720269 1.982824
H -2.808592 -2.754070 -1.698454
H 0.988076 2.004243 2.706123
H 3.410239 1.297736 2.877664
H -0.215688 -5.469108 1.296208
H 1.065958 -4.986027 0.063073
H 5.850924 0.856497 -1.210479
H 5.369618 -0.901134 -0.926664


