%chk=000049704.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049704

0 1
 O   -3.591400      -2.905000      0.4752000    
 O    2.230000     -0.8476000     -0.6324000    
 O    3.596500       1.945700       1.993900    
 N   -3.404300      0.9547000     -0.8217000    
 C   -3.612900       1.260100      0.6006000    
 C   -4.473100       1.529100      -1.650800    
 C   -3.655700       2.770200      0.8403000    
 C   -4.544100       3.047900      -1.484700    
 C   -4.720700       3.438300     -2.1700000E-02
 C   -3.318700     -0.4909000      -1.027300    
 C   -2.191200      -1.106300     -0.2663000    
 C  -0.9410000     -0.4878000     -0.2792000    
 C   -2.377300      -2.287600      0.4518000    
 C   0.1233000      -1.050300      0.4258000    
 C   -1.313100      -2.850300       1.156800    
 C    1.440800     -0.3987000      0.4125000    
 C  -6.3000001E-02  -2.231500       1.143800    
 C    1.806500      0.5272000       1.322000    
 C    4.012000      0.6211000      9.8300003E-02
 C    3.176400       1.106400       1.207000    
 C    3.491500     -0.3343000     -0.7683000    
 C   0.9684000       1.057600       2.449200    
 C   -3.845600      -3.873700     -0.5403000    
 C    5.308200       1.108900     -8.7499999E-02
 C    4.262900     -0.8102000      -1.829200    
 C    6.078600      0.6324000      -1.149000    
 C    5.556900     -0.3254000      -2.018700    
 H   -2.807500      0.8709000       1.232100    
 H   -4.547700      0.8090000      0.9606000    
 H   -5.446000       1.086900      -1.398200    
 H   -4.280900       1.310800      -2.708400    
 H   -2.674200       3.206100      0.6137000    
 H   -3.858600       2.971900       1.898200    
 H   -5.375800       3.446600      -2.076600    
 H   -3.625500       3.503500      -1.876100    
 H   -5.715900       3.130500      0.3218000    
 H   -4.664500       4.526900      8.6800002E-02
 H   -3.146200     -0.7054000      -2.090300    
 H   -4.279900     -0.9515000     -0.7680000    
 H  -0.7817000      0.4256000     -0.8488000    
 H   -1.450900      -3.769900       1.719000    
 H   0.7567000      -2.682200       1.698200    
 H   0.8423000       2.141000       2.350100    
 H    1.452400      0.8517000       3.409800    
 H  -3.1800002E-02  0.6173000       2.487700    
 H    5.732400       1.855100      0.5783000    
 H   -3.744300      -3.432200      -1.536700    
 H   -4.870900      -4.234000     -0.4205000    
 H   -3.162300      -4.722400     -0.4358000    
 H    3.863700      -1.556600      -2.510600    
 H    7.086800       1.008200      -1.298600    
 H    6.159100     -0.6943000      -2.843900    


%chk=000049704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049704

0 1
O -3.396708 -3.359992 0.255775
O 2.505989 -1.125649 -0.257523
O 3.184591 2.920885 0.453721
N -3.626746 0.885890 -0.351412
C -3.799062 1.134618 1.105326
C -4.638438 1.619336 -1.154754
C -3.683210 2.637026 1.428819
C -4.548055 3.138007 -0.899802
C -4.704810 3.453377 0.605183
C -3.589438 -0.560918 -0.670283
C -2.274547 -1.217143 -0.256014
C -1.072292 -0.475618 -0.279545
C -2.217200 -2.576007 0.154166
C 0.168406 -1.046514 0.104968
C -0.990915 -3.164811 0.540209
C 1.428760 -0.269503 0.072170
C 0.195520 -2.411388 0.510936
C 1.623627 1.080060 0.335096
C 4.077145 0.756843 -0.138951
C 2.974892 1.679491 0.227610
C 3.807909 -0.616120 -0.356442
C 0.521301 2.015506 0.782279
C -3.876135 -3.927992 -1.017401
C 5.418086 1.208729 -0.265413
C 4.824453 -1.536813 -0.694686
C 6.443859 0.309740 -0.600182
C 6.144104 -1.065224 -0.814911
H -3.026263 0.562625 1.650318
H -4.796969 0.757558 1.453894
H -5.678582 1.271188 -0.914318
H -4.457360 1.402127 -2.224825
H -2.656776 2.977827 1.190511
H -3.842401 2.791590 2.513185
H -5.327135 3.656231 -1.491325
H -3.562564 3.499658 -1.252192
H -5.732779 3.190494 0.931282
H -4.575418 4.536609 0.788559
H -3.713591 -0.656348 -1.768723
H -4.434376 -1.122752 -0.201715
H -1.143515 0.563751 -0.609782
H -0.991868 -4.208236 0.871314
H 1.145309 -2.867199 0.804026
H 0.018318 2.498128 -0.077300
H 0.976724 2.827684 1.373557
H -0.247376 1.500261 1.381435
H 5.610008 2.272213 -0.089839
H -4.133597 -3.134793 -1.746397
H -4.778170 -4.505545 -0.764073
H -3.112187 -4.596326 -1.460185
H 4.567100 -2.587267 -0.858365
H 7.475749 0.662643 -0.696769
H 6.945336 -1.764439 -1.077315


