%chk=000053319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053319

0 1
 O   -3.517400      -1.079100       2.210100    
 N  -0.7394000     -8.6000003E-03  0.5218000    
 N    3.397900      1.6100001E-02 -0.1499000    
 N   -3.549800       1.213700       2.191400    
 C   0.6636000     -9.9999997E-05  0.2939000    
 C    1.339300       1.218600      0.1748000    
 C    1.356300      -1.210600      0.1909000    
 C    2.725700       1.179300     -4.9899999E-02
 C    2.742100      -1.154900     -3.4400001E-02
 C   -1.836200     -2.3000000E-02 -0.3499000    
 C   0.6684000       2.449900      0.2743000    
 C   0.7028000      -2.449900      0.3068000    
 C    3.404200       2.389300     -0.1694000    
 C    3.437500      -2.356700     -0.1379000    
 C   -3.150800     -2.8999999E-02  0.1341000    
 C    1.369800       3.645500      0.1512000    
 C    1.421000      -3.637100      0.1994000    
 C    2.740500       3.614800     -7.1000002E-02
 C    2.791200      -3.590000     -2.3399999E-02
 C   -1.618200     -3.0500000E-02  -1.733500    
 C   -4.229000     -4.2500000E-02 -0.7507000    
 C   -2.696400     -4.3800000E-02  -2.618400    
 C   -4.001700     -4.9800001E-02  -2.127000    
 C   -3.421400     -2.1500001E-02   1.566500    
 H  -0.9648000     -1.2000001E-03   1.511600    
 H  -0.4021000       2.510100      0.4528000    
 H  -0.3667000      -2.522800      0.4862000    
 H    4.478700       2.391700     -0.3438000    
 H    4.511900      -2.346300     -0.3122000    
 H   0.8497000       4.595200      0.2297000    
 H   0.9142000      -4.592900      0.2905000    
 H    3.297500       4.542100     -0.1683000    
 H    3.361200      -4.510500     -0.1084000    
 H  -0.6134000     -2.6000001E-02  -2.147900    
 H   -5.251100     -4.7600001E-02 -0.3805000    
 H   -2.519800     -4.9400002E-02  -3.690000    
 H   -4.841200     -6.0300000E-02  -2.816000    
 H   -3.464900       2.087300       1.681400    
 H   -3.731800       1.278300       3.187400    


%chk=000053319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053319

0 1
O -2.508868 -0.983022 2.224591
N -0.723733 -0.186047 0.480654
N 3.524686 -0.140421 -0.248965
N -4.620637 -0.075287 2.135926
C 0.664929 -0.136928 0.212098
C 1.353081 1.083020 -0.089636
C 1.422400 -1.348243 0.329363
C 2.790889 1.013465 -0.342275
C 2.862773 -1.288846 0.102224
C -1.775852 0.266337 -0.320040
C 0.717596 2.374427 -0.098861
C 0.823804 -2.619397 0.639627
C 3.497997 2.222839 -0.677320
C 3.637980 -2.494352 0.232423
C -3.128632 0.207516 0.187106
C 1.439985 3.524928 -0.403347
C 1.606923 -3.765714 0.755378
C 2.841204 3.447950 -0.714868
C 3.028735 -3.702227 0.557693
C -1.564497 0.744855 -1.649513
C -4.196900 0.616675 -0.659532
C -2.641486 1.154869 -2.448586
C -3.972852 1.095440 -1.960745
C -3.389057 -0.316857 1.558928
H -1.064663 -0.715159 1.314659
H -0.344360 2.449575 0.150964
H -0.260583 -2.686301 0.776782
H 4.569307 2.129298 -0.879872
H 4.715978 -2.412318 0.063303
H 0.940909 4.500151 -0.396323
H 1.136783 -4.726504 0.991714
H 3.391370 4.362279 -0.963247
H 3.628819 -4.613686 0.655545
H -0.548174 0.769752 -2.050792
H -5.232554 0.520846 -0.311895
H -2.447306 1.506884 -3.467813
H -4.812738 1.395480 -2.594574
H -5.318251 0.534025 1.717311
H -4.787601 -0.461504 3.064212


