%chk=000141885.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000141885

0 1
 O   -2.942300      -2.024900      0.2369000    
 N    1.622100      0.1979000     -0.4713000    
 N   -1.060100     -0.6631000     -9.2100002E-02
 C    1.306300      -1.171100     -0.3206000    
 C   1.9000000E-03  -1.599500     -0.1353000    
 C    2.762600      0.9528000     -0.1428000    
 C    2.335400      -2.111900     -0.3601000    
 C  -0.3012000      -2.943900      1.1700000E-02
 C    2.046200      -3.468600     -0.2136000    
 C   -2.429800     -0.9042000      8.4600002E-02
 C   0.7280000      -3.884600     -2.7700000E-02
 C   -3.289600      0.2682000      5.7000000E-02
 C    3.103100       2.075400     -0.9010000    
 C    3.559600      0.5825000      0.9430000    
 C   -4.501800      0.2606000      0.7472000    
 C   -2.902000       1.400800     -0.6591000    
 C    4.234500       2.823500     -0.5755000    
 C    4.690900       1.330700       1.268500    
 C    5.028300       2.451300      0.5092000    
 C   -5.326600       1.385200      0.7210000    
 C   -3.726800       2.525500     -0.6852000    
 C   -4.939000       2.517600      4.9000001E-03
 H   0.9237000      0.7215000     -0.9903000    
 H    3.368900      -1.822000     -0.5282000    
 H  -0.7543000      0.3030000     -0.1492000    
 H   -1.288500      -3.353200      0.1588000    
 H    2.846700      -4.201800     -0.2500000    
 H   0.5044000      -4.941700      8.4799998E-02
 H    2.493500       2.376100      -1.749400    
 H    3.309100     -0.2711000       1.566800    
 H   -4.820300     -0.6095000       1.315700    
 H   -1.986700       1.441000      -1.242300    
 H    4.497300       3.695900      -1.166500    
 H    5.306300       1.044400       2.116300    
 H    5.908600       3.034500      0.7635000    
 H   -6.270000       1.379600       1.258900    
 H   -3.429800       3.404500      -1.249700    
 H   -5.582000       3.392700     -1.6799999E-02


%chk=000141885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000141885

0 1
O -2.377625 -1.793911 1.027787
N 1.889703 -0.480365 -1.417049
N -0.565385 -0.897594 -0.169302
C 1.593307 -1.769844 -0.852838
C 0.331102 -1.991587 -0.210057
C 2.196533 0.684671 -0.665703
C 2.509260 -2.836842 -0.982026
C 0.034176 -3.274100 0.322474
C 2.200537 -4.118471 -0.474552
C -1.812784 -0.811612 0.451958
C 0.968309 -4.323050 0.187261
C -2.465468 0.546042 0.380590
C 2.540391 1.881079 -1.358589
C 2.145291 0.699646 0.756375
C -3.876338 0.597978 0.520870
C -1.735907 1.755863 0.226687
C 2.826731 3.061054 -0.643092
C 2.426690 1.891988 1.458392
C 2.767650 3.080113 0.771564
C -4.552547 1.834183 0.479322
C -2.415518 2.993274 0.190837
C -3.824048 3.035914 0.308784
H 2.221157 -0.481697 -2.383929
H 3.473117 -2.647592 -1.468389
H -0.246570 -0.079616 -0.696955
H -0.928419 -3.427081 0.813519
H 2.918008 -4.938644 -0.581273
H 0.723670 -5.309150 0.596845
H 2.578961 1.880845 -2.455505
H 1.905748 -0.217227 1.303955
H -4.415923 -0.342977 0.669623
H -0.639416 1.755036 0.184548
H 3.095038 3.970186 -1.193340
H 2.383921 1.885903 2.553433
H 2.988609 3.998668 1.324630
H -5.642825 1.863710 0.581764
H -1.844173 3.921671 0.083772
H -4.348364 3.997638 0.279706


