%chk=000077675.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077675

0 1
 O    5.417100     -4.4100001E-02 -0.6057000    
 O    4.783800      -2.221300     -0.4478000    
 N   -3.882300     -0.2657000     -2.5000000E-02
 N  -0.4667000       1.079000      0.6397000    
 N    1.125200       2.597500      0.2861000    
 N   0.8219000     -0.9616000      0.3848000    
 C   -2.582400      0.3069000     -0.3517000    
 C   -1.773100      0.5352000      0.9216000    
 C   -3.722900      -1.549200      0.6614000    
 C   -4.690800     -0.4343000      -1.234000    
 C   0.6793000      0.3741000      0.4023000    
 C    1.657200       1.334900      0.1847000    
 C  -0.1485000       2.408200      0.5594000    
 C   -5.078900      -2.102600       1.055400    
 C   -4.854100      0.8966000      -1.942800    
 C    2.957800      0.8924000     -8.8399999E-02
 C    3.169700     -0.4861000     -0.1201000    
 C    2.095900      -1.338800      0.1170000    
 C    4.491700      -1.021200     -0.3971000    
 H   -2.678300       1.288100     -0.8286000    
 H   -2.025600     -0.3356000      -1.047400    
 H   -1.574700     -0.3764000       1.490600    
 H   -2.285400       1.235500       1.593000    
 H   -3.177500      -2.281000      5.2900001E-02
 H   -3.191300      -1.439100       1.609300    
 H   -4.258000      -1.171700      -1.921500    
 H   -5.704200     -0.7640000     -0.9841000    
 H  -0.8819000       3.189400      0.7069000    
 H   -5.704200      -1.347200       1.544200    
 H   -5.625000      -2.523200      0.2054000    
 H   -4.945600      -2.923000       1.770200    
 H   -5.132100       1.700300      -1.252000    
 H   -3.958100       1.191800      -2.497700    
 H   -5.658400      0.8173000      -2.683500    
 H    3.742200       1.620000     -0.2625000    
 H    2.229600      -2.418100      9.8800004E-02
 H    6.305200     -0.4166000     -0.7922000    


%chk=000077675-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077675

0 1
O 5.541018 -0.374045 -0.282732
O 4.689030 -2.437166 0.362013
N -3.770693 -0.444602 -0.264256
N -0.461273 1.316862 0.303632
N 1.271703 2.701843 -0.326607
N 0.774023 -0.794119 0.606841
C -2.500465 0.203217 -0.656008
C -1.826399 0.839099 0.588315
C -3.576814 -1.849041 0.197485
C -4.861165 -0.291718 -1.263744
C 0.687812 0.524520 0.296311
C 1.763718 1.398821 -0.093145
C -0.047186 2.601714 -0.082534
C -4.651205 -2.305315 1.202120
C -5.455851 1.129068 -1.288366
C 3.056934 0.852150 -0.171870
C 3.183170 -0.525624 0.145202
C 2.035015 -1.296329 0.524587
C 4.489930 -1.225654 0.099660
H -2.700332 0.994204 -1.401446
H -1.785561 -0.513411 -1.123416
H -1.756046 0.086763 1.392246
H -2.436373 1.680706 0.957150
H -3.542809 -2.554463 -0.669977
H -2.584590 -1.911741 0.682408
H -4.519910 -0.578733 -2.290177
H -5.662650 -1.001910 -0.991721
H -0.753512 3.427129 -0.158184
H -4.656563 -1.639429 2.082606
H -5.663990 -2.291836 0.760068
H -4.447898 -3.338649 1.539466
H -5.846622 1.393708 -0.290423
H -4.703712 1.887817 -1.573435
H -6.281951 1.190050 -2.021112
H 3.927370 1.446003 -0.459872
H 2.163775 -2.355996 0.765512
H 6.386672 -0.897492 -0.294998


