%chk=000048949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048949

0 1
 O    2.186200      -1.652100      0.2595000    
 O    1.049600      0.3092000      0.6606000    
 N   -1.923200      -2.710500      0.2506000    
 C   -2.208100      -1.348500     -0.2044000    
 C   -1.014300      -3.380500     -0.6715000    
 C   -3.145700     -0.6312000      0.7675000    
 C   0.2645000      -2.566300     -0.8397000    
 C   -3.167400      -3.469300      0.3908000    
 C   -3.465400      0.7660000      0.2987000    
 C    1.001100      -2.403500      0.4831000    
 C   -2.655300       1.819300      0.6953000    
 C   -4.563900      0.9745000     -0.5216000    
 C   -2.950600       3.111700      0.2615000    
 C   -4.859100       2.267000     -0.9554000    
 C   -4.052400       3.335600     -0.5639000    
 C    2.070100     -0.3004000      0.3806000    
 C    3.371700      0.3656000      0.1224000    
 C    3.649400       1.557000      0.7610000    
 C    4.263500     -0.2276000     -0.7476000    
 C    4.872200       2.182600      0.5188000    
 C    5.486400      0.3981000     -0.9897000    
 C    5.790800       1.603300     -0.3564000    
 H  -0.7547000      -4.374600     -0.2865000    
 H   -1.479200      -3.525700      -1.655400    
 H   -2.639900      -1.352500      -1.214700    
 H   -1.304600     -0.7347000     -0.2430000    
 H   -2.699300     -0.5905000       1.770100    
 H   -4.103500      -1.150000      0.8856000    
 H   0.9260000      -3.117000      -1.523300    
 H   0.1163000      -1.610100      -1.352000    
 H   -3.737300      -3.159100       1.271800    
 H   -3.804000      -3.402700     -0.4991000    
 H   -2.948500      -4.530900      0.5610000    
 H    1.307600      -3.384000      0.8643000    
 H   0.3886000      -1.941000       1.265100    
 H   -1.793700       1.654700       1.336000    
 H   -5.196800      0.1490000     -0.8346000    
 H   -2.322100       3.943600      0.5657000    
 H   -5.716600       2.441300      -1.598800    
 H   -4.282200       4.341700     -0.9021000    
 H    2.943800       2.016000       1.447000    
 H    4.045200      -1.157700      -1.263500    
 H    5.109600       3.120500       1.012300    
 H    6.200600     -5.0999999E-02  -1.673600    
 H    6.742700       2.090700     -0.5455000    


%chk=000048949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048949

0 1
O 2.140402 -1.698361 0.220773
O 0.879207 0.264059 0.281741
N -2.044270 -2.827265 -0.002017
C -2.504008 -1.470119 -0.393075
C -1.101579 -3.442514 -0.972253
C -2.990569 -0.627713 0.817131
C 0.250711 -2.696752 -1.069579
C -3.162978 -3.736172 0.322477
C -3.302060 0.805979 0.410344
C 0.879151 -2.495802 0.316794
C -2.245070 1.719539 0.148503
C -4.639323 1.250032 0.251446
C -2.525610 3.042596 -0.258730
C -4.921851 2.574204 -0.157524
C -3.863985 3.476003 -0.414295
C 1.997368 -0.311238 0.215029
C 3.311752 0.390054 0.129555
C 3.313556 1.809408 0.139205
C 4.538385 -0.318851 0.042438
C 4.532043 2.514296 0.063628
C 5.755146 0.391066 -0.033660
C 5.754970 1.806520 -0.023038
H -0.916515 -4.480642 -0.631433
H -1.541067 -3.518221 -2.000404
H -3.313856 -1.515665 -1.164760
H -1.656141 -0.929792 -0.846319
H -2.184614 -0.651508 1.574076
H -3.886053 -1.092454 1.270714
H 0.930831 -3.282510 -1.716604
H 0.118517 -1.711493 -1.551138
H -3.785857 -3.302363 1.122988
H -3.827729 -3.945239 -0.554356
H -2.766653 -4.699797 0.690299
H 1.202484 -3.449273 0.765531
H 0.170952 -1.984145 0.987908
H -1.205682 1.390390 0.268917
H -5.464400 0.554984 0.453884
H -1.700339 3.738014 -0.452329
H -5.961924 2.901437 -0.272086
H -4.079108 4.503930 -0.728370
H 2.355206 2.334610 0.208334
H 4.522956 -1.412094 0.036853
H 4.531571 3.609545 0.072698
H 6.702117 -0.155435 -0.100614
H 6.702015 2.354754 -0.081679


