%chk=000058648.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058648

0 1
 O  -0.6207000      0.1602000      -1.313500    
 O    2.687400       1.102300      0.3089000    
 N   -2.668700     -0.8634000      4.2900000E-02
 N  -7.1500003E-02   1.672500      0.3528000    
 C   -3.412300      0.1601000     -0.7052000    
 C   -3.564000      -1.644100      0.9083000    
 C   -1.603300     -0.2466000      0.8327000    
 C   -4.499400     -0.4731000      -1.575200    
 C   -4.656000      -2.336000      9.1200002E-02
 C   -5.444200      -1.332900     -0.7434000    
 C  -0.7272000      0.5394000     -0.1423000    
 C  -0.8087000      -1.332900       1.555600    
 C   0.8635000       2.506600     -0.3982000    
 C  -0.2522000       2.049700       1.749700    
 C    2.077600       1.689700     -0.8350000    
 C   0.1588000       3.127100      -1.597800    
 C   -1.427100       2.990100       1.922800    
 C    3.337100     -8.8399999E-02  0.1179000    
 C    3.923300     -0.3635000      -1.112700    
 C    3.403600      -1.010600       1.156400    
 C    4.584200      -1.576300      -1.307300    
 C    4.064700      -2.223400      0.9616000    
 C    4.655000      -2.506200     -0.2702000    
 H   -2.803400      0.7583000      -1.387400    
 H   -3.882000      0.8707000     -1.0800000E-02
 H   -4.025900      -1.007500       1.674600    
 H   -3.030900      -2.447800       1.425500    
 H   -2.072500      0.4061000       1.570400    
 H   -5.070900      0.3116000      -2.084100    
 H   -4.034200      -1.088300      -2.355800    
 H   -4.202000      -3.084700     -0.5705000    
 H   -5.336800      -2.873100      0.7615000    
 H   -6.036400     -0.6903000     -8.0499999E-02
 H   -6.148900      -1.858400      -1.397100    
 H   0.1694000     -0.9574000       1.875700    
 H  -0.6041000      -2.190400      0.9031000    
 H   -1.319400      -1.689000       2.456100    
 H    1.207900       3.322300      0.2492000    
 H   0.6619000       2.535100       2.113200    
 H  -0.3673000       1.180300       2.399100    
 H    1.758200      0.9309000      -1.559900    
 H    2.806100       2.349000      -1.322600    
 H   0.8206000       3.839800      -2.101600    
 H  -0.1449000       2.384100      -2.341300    
 H  -0.7401000       3.669700      -1.285200    
 H   -2.360800       2.572300       1.536100    
 H   -1.250200       3.931300       1.391200    
 H   -1.571200       3.226500       2.981700    
 H    3.918500      0.3445000      -1.935600    
 H    2.944500     -0.7944000       2.116900    
 H    5.050200      -1.794100      -2.263900    
 H    4.119800      -2.947600       1.769200    
 H    5.171000      -3.449800     -0.4211000    


%chk=000058648-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058648

0 1
O -0.774267 -0.113361 -1.474115
O 2.695607 0.828287 0.300645
N -3.205287 -0.847644 -0.111461
N -0.216949 1.238817 0.331861
C -3.837838 0.409895 -0.591916
C -4.172011 -1.660671 0.672669
C -1.948402 -0.577579 0.639107
C -5.073721 0.122365 -1.467051
C -5.421026 -2.007868 -0.163837
C -6.105853 -0.731819 -0.698733
C -0.949505 0.209569 -0.254801
C -1.222588 -1.879339 1.069115
C 0.753200 2.013194 -0.506887
C -0.220792 1.569604 1.781955
C 1.945777 1.138525 -0.933321
C 0.097725 2.710472 -1.720195
C -1.141316 2.758997 2.129625
C 3.823802 -0.001416 0.192969
C 4.287950 -0.564066 -1.022478
C 4.509143 -0.258138 1.407206
C 5.440395 -1.384382 -1.008135
C 5.655791 -1.076324 1.403677
C 6.130301 -1.645695 0.195810
H -3.093139 0.968345 -1.184259
H -4.145476 1.060096 0.274426
H -4.493999 -1.116315 1.604025
H -3.683001 -2.596893 0.990037
H -2.186414 0.024863 1.552820
H -5.520600 1.081592 -1.793035
H -4.742576 -0.420162 -2.372933
H -5.108782 -2.643358 -1.014827
H -6.120348 -2.599319 0.458690
H -6.510583 -0.145052 0.152564
H -6.962038 -0.991866 -1.349598
H -0.214413 -1.648444 1.459126
H -1.109256 -2.533111 0.187687
H -1.768794 -2.423027 1.858460
H 1.156588 2.797640 0.161084
H 0.823094 1.795175 2.065698
H -0.508894 0.680714 2.366092
H 1.588727 0.213350 -1.419263
H 2.598003 1.702096 -1.631768
H 0.821875 3.399759 -2.193001
H -0.243005 1.975074 -2.464692
H -0.773532 3.302934 -1.389281
H -2.193614 2.528917 1.881991
H -0.849261 3.664779 1.567770
H -1.079989 2.992522 3.208855
H 3.767663 -0.378612 -1.966494
H 4.129677 0.190010 2.331088
H 5.795624 -1.820399 -1.948834
H 6.180984 -1.270752 2.345664
H 7.021444 -2.281980 0.196297


