%chk=000049552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049552

0 1
 N   -3.029600     -0.8695000      0.6535000    
 N   -5.689800      7.1599998E-02  2.3700001E-02
 N   0.2778000      0.1294000      -3.045600    
 C    1.035900      8.4799998E-02 -0.4952000    
 C  -0.2193000     -0.2497000      0.3588000    
 C  -0.7961000      -1.580200     -7.2800003E-02
 C   -2.014600      -1.912700      0.7865000    
 C    1.474600       1.542800     -0.1621000    
 C    2.002700      -1.116000     -0.2934000    
 C   -3.492300     -0.7664000     -0.7358000    
 C   -4.161500      -1.125500       1.552500    
 C   -4.558200      0.3258000     -0.8764000    
 C   -5.226700     -3.2499999E-02   1.413000    
 C    2.651900       1.961400      0.4896000    
 C    2.882100      -1.247200      0.7977000    
 C    3.692200       1.048300       1.079600    
 C    3.088000     -0.1456000       1.793500    
 C   0.5762000       2.578600     -0.5596000    
 C    1.915700      -2.234400      -1.166000    
 C   0.6084000      0.1101000      -1.933600    
 C    2.922000       3.346300      0.6348000    
 C    3.649000      -2.422000      0.9660000    
 C   -6.703300       1.116200     -0.1087000    
 C   0.8457000       3.937000     -0.3851000    
 C    2.682600      -3.390200     -0.9939000    
 C    2.032600       4.323400      0.2034000    
 C    3.554100      -3.483800      7.5300001E-02
 H   3.5599999E-02 -0.2773000       1.426400    
 H  -0.9733000      0.5385000      0.2510000    
 H   -1.032300      -1.655300      -1.136800    
 H  -0.1150000      -2.404000      0.1553000    
 H   -2.410700      -2.895000      0.4975000    
 H   -1.698200      -1.991600       1.834800    
 H   -3.895300      -1.725000      -1.089500    
 H   -2.685200     -0.4766000      -1.414800    
 H   -3.814000      -1.135800       2.592800    
 H   -4.610400      -2.107000       1.348000    
 H   -4.109300       1.307900     -0.6734000    
 H   -4.907900      0.3355000      -1.915900    
 H   -6.069700     -0.2873000       2.066500    
 H   -4.819700      0.9260000       1.763100    
 H    4.404100      0.7568000      0.2965000    
 H    4.269400       1.604200       1.830800    
 H    2.153900      9.2299998E-02   2.314500    
 H    3.787800     -0.4758000       2.571800    
 H  -0.3732000       2.334600      -1.035200    
 H    1.235800      -2.249500      -2.014200    
 H    3.843900       3.673900       1.113300    
 H    4.338400      -2.511000       1.803200    
 H   -7.078500       1.159500      -1.137300    
 H   -6.316500       2.106100      0.1592000    
 H   -7.565600      0.8983000      0.5312000    
 H   0.1289000       4.681700     -0.7173000    
 H    2.585100      -4.215200      -1.693400    
 H    2.264300       5.374900      0.3397000    
 H    4.152800      -4.377200      0.2210000    


%chk=000049552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049552

0 1
N -3.117139 -0.834074 0.732253
N -5.763604 0.134847 0.028004
N -0.123722 0.027192 -2.911941
C 1.056107 0.038471 -0.503080
C -0.146968 -0.301056 0.484954
C -0.775660 -1.694660 0.290107
C -2.089710 -1.843852 1.090231
C 1.518135 1.508280 -0.197941
C 2.117308 -1.103537 -0.465081
C -3.668656 -1.021679 -0.634939
C -4.217847 -0.791911 1.727471
C -4.669891 0.095523 -0.970565
C -5.212685 0.329896 1.388820
C 2.582747 1.897881 0.672731
C 2.902204 -1.366594 0.697242
C 3.543873 0.966011 1.408201
C 2.975125 -0.398086 1.863229
C 0.725147 2.537117 -0.783402
C 2.229026 -1.993624 -1.564884
C 0.435148 0.042672 -1.857876
C 2.808132 3.287299 0.888228
C 3.739439 -2.510064 0.723625
C -6.798817 1.129431 -0.309597
C 0.964733 3.904870 -0.558746
C 3.074562 -3.123344 -1.529986
C 2.027234 4.289972 0.285804
C 3.828977 -3.395942 -0.370888
H 0.218328 -0.192648 1.521342
H -0.930679 0.466399 0.348387
H -0.965975 -1.878561 -0.784553
H -0.077208 -2.487296 0.618625
H -2.476707 -2.887373 0.955964
H -1.869797 -1.720483 2.169822
H -4.184198 -2.011317 -0.727438
H -2.845621 -0.992528 -1.370637
H -3.782743 -0.607330 2.728058
H -4.775296 -1.762505 1.764834
H -4.118133 1.070262 -1.015284
H -5.106568 -0.093614 -1.969085
H -6.046686 0.314119 2.115942
H -4.689122 1.316651 1.482935
H 4.431692 0.773152 0.771799
H 3.915708 1.507461 2.298492
H 1.996801 -0.241400 2.353050
H 3.645895 -0.820655 2.633491
H -0.101048 2.260822 -1.446656
H 1.644950 -1.809188 -2.471376
H 3.628239 3.577632 1.556961
H 4.339579 -2.697009 1.622589
H -7.217573 0.906040 -1.307430
H -6.415107 2.181944 -0.323994
H -7.621330 1.075787 0.426524
H 0.329382 4.655932 -1.039965
H 3.134120 -3.782758 -2.402543
H 2.238401 5.347523 0.477920
H 4.482798 -4.273498 -0.321249


