%chk=000154009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154009

0 1
 O   -1.154900     -0.7374000      0.4862000    
 N   -5.606300      -1.910500      0.2695000    
 N   -2.819200      0.3645000     -0.6938000    
 N    1.237200      0.2798000     -1.7899999E-02
 N    2.681800       2.652300      4.2300001E-02
 C   -4.681400     -0.7918000      0.3978000    
 C   -3.727900     -0.7555000     -0.7874000    
 C  -0.7858000       1.521300     -2.3399999E-02
 C   0.6060000       1.466900     -5.7999999E-03
 C   -1.577800      0.2968000     -5.5000000E-02
 C    1.337500       2.668300      2.4800001E-02
 C   -1.463800       2.739000     -1.1300000E-02
 C    2.582300      0.2853000     -9.9999997E-05
 C   -6.370000      -1.808700     -0.9757000    
 C   -6.513800      -1.964600       1.417400    
 C   0.6502000       3.879800      3.6699999E-02
 C  -0.7428000       3.923300      1.8999999E-02
 C    3.221300      -1.005900     -1.3200000E-02
 C    3.294300       1.454700      2.9600000E-02
 C    4.462600      -1.182700      0.6051000    
 C    2.604100      -2.090300     -0.6438000    
 C    5.081500      -2.432800      0.5928000    
 C    3.223100      -3.340400     -0.6560000    
 C    4.461700      -3.511600     -3.7599999E-02
 H   -4.095500     -0.8985000       1.319900    
 H   -5.216800      0.1645000      0.4747000    
 H   -4.243700     -0.6074000      -1.740000    
 H   -3.146400      -1.682400     -0.8508000    
 H   -3.103900       1.216500      -1.165700    
 H   -2.547300       2.807600      1.1200000E-02
 H   -5.757500      -2.044000      -1.851400    
 H   -6.831000     -0.8228000      -1.106600    
 H   -7.174800      -2.554300     -0.9906000    
 H   -7.168000      -2.841000       1.351100    
 H   -7.141300      -1.068900       1.491000    
 H   -5.948100      -2.067500       2.350300    
 H    1.203300       4.816700      6.2199999E-02
 H   -1.258300       4.878700      3.7000000E-02
 H    4.376300       1.507400      2.2900000E-02
 H    4.969200     -0.3748000       1.126700    
 H    1.643300      -1.988400      -1.143000    
 H    6.043600      -2.567900       1.078400    
 H    2.741700      -4.180300      -1.148400    
 H    4.943100      -4.485100     -4.6500001E-02


%chk=000154009-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154009

0 1
O -3.278738 1.803485 1.600822
N -4.957736 -2.024989 -0.077480
N -1.913473 0.066967 0.851336
N 0.660904 0.670182 0.226906
N 2.627029 2.717898 -0.048758
C -3.973271 -0.926215 -0.185465
C -2.957237 -0.957440 0.987339
C -0.989317 2.343522 0.978432
C 0.335060 1.986617 0.528425
C -2.152980 1.381459 1.169212
C 1.339338 3.025226 0.379992
C -1.251489 3.692745 1.263942
C 1.913648 0.377855 -0.195490
C -4.444385 -3.317807 -0.568657
C -6.273384 -1.694333 -0.660088
C 1.024733 4.383303 0.679803
C -0.260905 4.708184 1.120037
C 2.247108 -1.037572 -0.496674
C 2.894645 1.432523 -0.322432
C 3.281783 -1.372878 -1.413082
C 1.526626 -2.087983 0.136085
C 3.585588 -2.722903 -1.688772
C 1.834203 -3.435646 -0.136911
C 2.865255 -3.759291 -1.051230
H -4.506410 0.039086 -0.132192
H -3.417513 -0.948042 -1.157181
H -2.464157 -1.944703 1.045960
H -3.516694 -0.791910 1.924221
H -0.957265 -0.148477 0.505365
H -2.264260 3.933383 1.605489
H -3.499908 -3.576260 -0.058392
H -4.249987 -3.321917 -1.672600
H -5.174035 -4.117447 -0.346659
H -6.989264 -2.508671 -0.443845
H -6.248257 -1.547307 -1.770316
H -6.661554 -0.768974 -0.200195
H 1.812416 5.132247 0.554935
H -0.516710 5.746242 1.355821
H 3.921103 1.201531 -0.624724
H 3.832193 -0.583988 -1.937133
H 0.744060 -1.832852 0.858087
H 4.378336 -2.966007 -2.404413
H 1.278107 -4.233937 0.366452
H 3.104593 -4.807007 -1.263370


