%chk=000112844.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112844

0 1
 O   -1.831700      0.4208000      0.9029000    
 O   -1.244700     -0.7586000      -1.033200    
 N   -8.299000     -0.5290000     -0.7478000    
 C    3.299100      0.5903000     -0.2217000    
 C    2.820100     -0.7497000      0.3527000    
 C    2.380200       1.735700      0.2243000    
 C   0.4493000      0.1195000      0.4372000    
 C    1.360900      -1.025800     -3.1999999E-03
 C   0.9206000       1.458800     -0.1300000    
 C    4.744200      0.8673000      0.1890000    
 C    5.687400     -0.2037000     -0.3510000    
 C  -0.9539000     -0.1430000     -1.6100001E-02
 C    7.137000      9.4599999E-02  3.5399999E-02
 C    8.083200     -0.9924000     -0.4737000    
 C    9.520800     -0.7167000     -6.3000001E-02
 C   -3.171800      0.2250000      0.5609000    
 C   -3.814800     -0.9013000       1.024900    
 C   -3.798800       1.164900     -0.2270000    
 C   -5.152900      -1.097900      0.6836000    
 C   -5.137000      0.9685000     -0.5682000    
 C   -5.814000     -0.1629000     -0.1129000    
 C   -7.184400     -0.3647000     -0.4631000    
 H    3.253800      0.5309000      -1.318100    
 H    2.935700     -0.7559000       1.443900    
 H    3.407500      -1.585400     -3.9200000E-02
 H    2.694100       2.673700     -0.2492000    
 H    2.466000       1.883000       1.308500    
 H   0.4629000      0.1557000       1.534800    
 H    1.039300      -1.963500      0.4668000    
 H    1.286000      -1.182200      -1.087500    
 H   0.8033000       1.468300      -1.221700    
 H   0.2925000       2.272400      0.2532000    
 H    4.825000      0.9176000       1.282100    
 H    5.051900       1.847100     -0.1973000    
 H    5.601100     -0.2643000      -1.442400    
 H    5.436400      -1.188300      5.4699998E-02
 H    7.436400       1.065700     -0.3773000    
 H    7.218200      0.1685000       1.126900    
 H    8.025400      -1.054000      -1.566700    
 H    7.779000      -1.968100     -7.7200003E-02
 H    9.618000     -0.6832000       1.026800    
 H    10.18030      -1.505400     -0.4387000    
 H    9.868300      0.2387000     -0.4689000    
 H   -3.300300      -1.628500       1.645200    
 H   -3.271700       2.045500     -0.5807000    
 H   -5.667000      -1.984900       1.046200    
 H   -5.638600       1.706400      -1.189900    


%chk=000112844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112844

0 1
O -1.915255 0.252940 0.527757
O -1.279518 -1.723309 -0.596271
N -8.748957 0.518818 -0.124855
C 3.329572 0.197456 -0.360096
C 2.874515 -0.857680 0.681346
C 2.300022 1.354692 -0.415074
C 0.429694 -0.204263 0.360131
C 1.441828 -1.372454 0.413217
C 0.866025 0.857161 -0.702066
C 4.754553 0.737015 -0.077655
C 5.881768 -0.314054 -0.202340
C -0.968389 -0.692851 0.031452
C 7.293481 0.288688 -0.021917
C 8.424532 -0.758432 -0.139486
C 9.832139 -0.149055 0.037569
C -3.320663 0.192502 0.329475
C -4.015437 -0.809398 -0.393356
C -4.013591 1.268434 0.935184
C -5.417190 -0.713535 -0.503039
C -5.410184 1.354744 0.821197
C -6.127886 0.360660 0.096956
C -7.558986 0.445764 -0.024563
H 3.340056 -0.294142 -1.359136
H 2.924762 -0.402971 1.694096
H 3.569713 -1.717955 0.685381
H 2.596677 2.084040 -1.194534
H 2.314674 1.899089 0.552974
H 0.387735 0.306435 1.342326
H 1.143326 -2.094495 1.196931
H 1.408238 -1.918785 -0.548941
H 0.828546 0.393135 -1.708286
H 0.154645 1.703823 -0.698974
H 4.778792 1.182796 0.939888
H 4.966065 1.567093 -0.784684
H 5.817308 -0.801720 -1.197957
H 5.737932 -1.117126 0.548367
H 7.452986 1.085374 -0.778666
H 7.357476 0.785422 0.969107
H 8.357521 -1.256961 -1.128162
H 8.266166 -1.552036 0.619309
H 9.933957 0.331308 1.029165
H 10.621201 -0.918771 -0.047306
H 10.029294 0.623124 -0.729954
H -3.475723 -1.637280 -0.852473
H -3.441871 2.021254 1.484891
H -5.967179 -1.479308 -1.058711
H -5.951068 2.184312 1.286084


