%chk=000056562.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056562

0 1
 O    5.426100     -0.5386000      0.7399000    
 O   -2.386800       1.627900      0.4036000    
 O   -1.028400       2.428400      -1.233000    
 N    2.857400      0.3847000     -6.6900000E-02
 N  -0.8493000      0.1683000     -0.5256000    
 C    1.437500      0.6361000      0.1702000    
 C   0.5394000     -7.5599998E-02 -0.8497000    
 C    3.158900      -1.049400      4.2900000E-02
 C    3.686900       1.147200      0.8763000    
 C    4.647500      -1.285700     -0.1957000    
 C    5.163000      0.8596000      0.6171000    
 C   0.8134000      0.3480000      -2.290700    
 C   -1.713000     -0.9573000     -0.1869000    
 C   -1.389900       1.487100     -0.5308000    
 C   -3.039100     -0.8525000     -0.4901000    
 C   -1.137900      -2.041000      0.4100000    
 C   -3.865100      -1.928900     -0.1667000    
 C   -1.964000      -3.117400      0.7332000    
 C   -3.327700      -3.061300      0.4448000    
 C   -2.979500       2.927700      0.5137000    
 C   -4.049200       2.892800       1.584500    
 H    1.154500      0.3286000       1.186700    
 H    1.259800       1.717900      0.1152000    
 H   0.7180000      -1.149500     -0.8524000    
 H    2.882100      -1.424900       1.036600    
 H    2.637400      -1.646000     -0.7091000    
 H    3.509200       2.222100      0.7577000    
 H    3.438300      0.8728000       1.909900    
 H    4.884800      -2.345000     -5.3599998E-02
 H    4.942500      -1.013900      -1.216700    
 H    5.474200       1.204900     -0.3764000    
 H    5.779600       1.380300       1.356700    
 H   4.8000000E-02 -4.2399999E-02  -2.970900    
 H    1.780300     -3.8600001E-02  -2.631500    
 H   0.8488000       1.434800      -2.410900    
 H   -3.480500     -1.1100000E-02  -1.013000    
 H  -9.7300000E-02  -2.104600      0.7055000    
 H   -4.924900      -1.890400     -0.4017000    
 H   -1.548600      -3.994300       1.221300    
 H   -3.970900      -3.899400      0.6968000    
 H   -2.208800       3.657900      0.7842000    
 H   -3.426600       3.206600     -0.4468000    
 H   -3.620600       2.596500       2.547500    
 H   -4.817000       2.152100       1.337300    
 H   -4.524500       3.871400       1.695000    


%chk=000056562-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056562

0 1
O 5.647488 -0.736642 0.422578
O -2.658832 1.662569 0.432841
O -0.643340 2.686938 -0.178124
N 2.935327 0.208617 -0.035239
N -0.879098 0.345882 -0.256088
C 1.569177 0.678576 0.283169
C 0.530846 0.158688 -0.752157
C 3.204037 -1.183104 0.409042
C 3.997241 1.120361 0.464211
C 4.592749 -1.634349 -0.074042
C 5.373077 0.640467 -0.024986
C 0.741626 0.769346 -2.152462
C -1.694927 -0.833367 -0.058044
C -1.331517 1.638895 -0.023750
C -2.952575 -0.974691 -0.695347
C -1.194223 -1.892786 0.740922
C -3.700132 -2.159493 -0.526101
C -1.941937 -3.080387 0.897240
C -3.199000 -3.219407 0.265774
C -3.180411 3.020218 0.764259
C -4.619301 2.828229 1.233968
H 1.246735 0.365040 1.308435
H 1.555338 1.781412 0.261209
H 0.645520 -0.936839 -0.838146
H 3.159191 -1.266102 1.525475
H 2.439741 -1.863439 -0.011815
H 3.803932 2.138880 0.079255
H 4.006908 1.169036 1.582202
H 4.845955 -2.632855 0.319373
H 4.609111 -1.654388 -1.185366
H 5.409628 0.686166 -1.135078
H 6.184388 1.254837 0.399273
H 0.066297 0.300778 -2.890707
H 1.786815 0.587773 -2.457496
H 0.558794 1.856089 -2.136483
H -3.340861 -0.155030 -1.305986
H -0.233591 -1.776938 1.255577
H -4.672151 -2.258659 -1.022158
H -1.547614 -3.890114 1.521356
H -3.780725 -4.139239 0.389623
H -2.537026 3.462906 1.546279
H -3.109958 3.656210 -0.136769
H -4.659698 2.171167 2.119333
H -5.237904 2.377823 0.438749
H -5.057100 3.806827 1.503701


