%chk=000019610.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019610

1 1
 O    2.182000      0.9788000      0.9453000    
 O   -3.921000      0.7968000       1.443800    
 O    3.670300       1.134400     -0.8096000    
 O    4.389500      7.1699999E-02   2.325200    
 N   -1.720700      0.3689000     -0.2494000    
 C   -1.454700       1.767600      0.3456000    
 C  -0.7071000      0.3763000      -1.412700    
 C   -1.408100       2.665100     -0.9021000    
 C  -0.9231000       1.761900      -2.043500    
 C  -9.2399999E-02   1.773100       1.061900    
 C   0.7218000      0.2581000     -0.8532000    
 C    1.073000       1.373000      0.1440000    
 C   -3.167000      0.2488000     -0.7694000    
 C   -1.558100     -0.7878000      0.7348000    
 C   -4.156600      0.2419000      0.3731000    
 C   -5.456600     -0.4648000      0.1846000    
 C    3.325700      0.6581000      0.2645000    
 C    4.101600     -0.4043000       1.018300    
 C   -6.069400      -1.023800       1.283200    
 C   -5.994100     -0.5316000      -1.081000    
 C    5.399000     -0.7690000      0.3397000    
 C   -7.285000      -1.685000       1.106600    
 C   -7.209600      -1.192600      -1.257500    
 C   -7.855000      -1.769300     -0.1637000    
 C    5.413600      -1.794100     -0.5934000    
 C    6.553800     -7.2300002E-02  0.6607000    
 C    6.612800      -2.131300      -1.220900    
 C    7.753000     -0.4095000      3.2900002E-02
 C    7.782300      -1.439100     -0.9078000    
 H   -2.233200       2.082100       1.037500    
 H  -0.9418000     -0.4487000      -2.093500    
 H   -2.404200       3.059300      -1.134200    
 H  -0.7553000       3.534400     -0.7676000    
 H  -1.6799999E-02   2.153800      -2.517400    
 H   -1.687200       1.711500      -2.828100    
 H   0.1084000       2.775300       1.463200    
 H  -0.1207000       1.125600       1.946700    
 H    1.418200      0.3019000      -1.700900    
 H   0.8957000     -0.7331000     -0.4195000    
 H    1.369100       2.270500     -0.4160000    
 H   -3.211700     -0.6924000      -1.328400    
 H   -3.395200       1.082300      -1.436700    
 H   -2.142800     -0.6158000       1.638900    
 H  -0.5182000     -0.8839000       1.046600    
 H   -1.860900      -1.713500      0.2356000    
 H    3.474500      -1.299000       1.112100    
 H   -5.634100     -0.9701000       2.276300    
 H   -5.519200     -7.8400001E-02  -1.945000    
 H   -7.787200      -2.135100       1.957900    
 H   -7.655400      -1.255600      -2.245900    
 H    3.542400      0.1726000       2.792300    
 H   -8.801700      -2.283600     -0.3010000    
 H    4.507400      -2.337300     -0.8457000    
 H    6.555300      0.7428000       1.378200    
 H    6.635600      -2.932200      -1.954100    
 H    8.663300      0.1317000      0.2737000    
 H    8.715900      -1.700800      -1.397300    


%chk=000019610-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019610

1 1
O 2.337190 -0.578909 0.534416
O -3.758758 0.701803 1.728023
O 3.441143 -0.857198 -1.501481
O 4.429783 -1.096703 2.046711
N -1.852980 -0.518962 -0.016503
C -1.167080 0.879096 0.238397
C -1.025841 -0.978555 -1.276194
C -1.170597 1.500556 -1.184360
C -1.049795 0.291226 -2.175749
C 0.262660 0.653505 0.776874
C 0.408005 -1.350088 -0.848660
C 1.136990 -0.133849 -0.221563
C -3.325721 -0.383423 -0.424396
C -1.788555 -1.490088 1.156752
C -4.246661 0.274983 0.637709
C -5.685871 0.383532 0.304912
C 3.481172 -0.865456 -0.256431
C 4.699544 -1.205845 0.623549
C -6.542382 1.004113 1.261428
C -6.238811 -0.104895 -0.915973
C 5.882923 -0.299791 0.256936
C -7.918467 1.133551 1.002086
C -7.617317 0.027049 -1.170274
C -8.458679 0.645566 -0.213437
C 6.600232 -0.530956 -0.941352
C 6.253884 0.765115 1.110077
C 7.681418 0.307743 -1.289513
C 7.339789 1.599588 0.759576
C 8.053100 1.376285 -0.440226
H -1.783039 1.417229 0.971858
H -1.544634 -1.846464 -1.718612
H -2.088677 2.083802 -1.365333
H -0.328801 2.203566 -1.288576
H -0.125607 0.337839 -2.773562
H -1.883509 0.269523 -2.896939
H 0.708244 1.648168 0.955212
H 0.251537 0.151583 1.759784
H 0.956542 -1.674511 -1.750014
H 0.417339 -2.207265 -0.153028
H 1.496773 0.523219 -1.034855
H -3.683330 -1.403950 -0.651683
H -3.379382 0.200704 -1.355334
H -2.347116 -1.049064 1.993414
H -0.752251 -1.669066 1.458872
H -2.245893 -2.442879 0.845106
H 4.961641 -2.254448 0.358100
H -6.105224 1.373465 2.194544
H -5.612066 -0.589330 -1.673408
H -8.571794 1.610381 1.739106
H -8.040531 -0.349164 -2.106827
H 3.472774 -1.277634 2.222985
H -9.530323 0.745593 -0.414691
H 6.317205 -1.356879 -1.604067
H 5.712665 0.908664 2.049271
H 8.237183 0.123192 -2.215007
H 7.633288 2.417052 1.427195
H 8.896770 2.021981 -0.707142


