%chk=000014677.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014677

0 1
 S    2.471300      0.3139000       1.554300    
 N   -3.667200     -0.3495000       1.065600    
 N   0.3359000      3.7000000E-03 -0.6836000    
 C   -2.120600      0.2259000     -0.5536000    
 C   -3.467000      4.0500000E-02  -1.257600    
 C   -2.263000     -0.5860000      0.7287000    
 C   -4.400800     -0.5252000     -0.1897000    
 C  -0.9309000     -0.1961000      -1.399400    
 C   -4.144700      -1.233500       2.118200    
 C    1.128500      -1.143700     -0.4266000    
 C   0.7015000       1.335600     -0.3629000    
 C    2.145600      -1.120000      0.5481000    
 C    1.676100       1.604700      0.6184000    
 C   0.9641000      -2.344000      -1.152000    
 C   0.1394000       2.446400      -1.029200    
 C    2.934000      -2.258200      0.7936000    
 C    2.040300       2.927400      0.9276000    
 C    1.753600      -3.470900     -0.9073000    
 C   0.5085000       3.758800     -0.7215000    
 C    2.737600      -3.429100      6.8800002E-02
 C    1.457600       3.999500      0.2602000    
 H   -2.055600       1.283800     -0.2722000    
 H   -3.404300     -0.6462000      -2.109200    
 H   -3.831400       1.003600      -1.633000    
 H   -2.062200      -1.651000      0.5533000    
 H   -1.593500     -0.2241000       1.516000    
 H   -5.359600      2.4999999E-03 -0.1734000    
 H   -4.593800      -1.584300     -0.4037000    
 H  -0.9169000      0.3284000      -2.362900    
 H   -1.135700      -1.232100      -1.673300    
 H   -4.052200      -2.292300       1.850300    
 H   -5.196800      -1.026600       2.342200    
 H   -3.581900      -1.063900       3.042600    
 H   0.2679000      -2.445200      -1.977800    
 H  -0.5911000       2.330300      -1.824900    
 H    3.712500      -2.244100       1.553900    
 H    2.784400       3.136400       1.693500    
 H    1.605800      -4.374200      -1.492200    
 H   5.4800000E-02   4.588600      -1.255400    
 H    3.354700      -4.301200      0.2620000    
 H    1.747300       5.017100      0.5036000    


%chk=000014677-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014677

0 1
S 1.997685 0.073377 1.899893
N -3.881766 -0.238364 1.079359
N 0.250165 -0.111345 -0.598492
C -2.244934 0.255155 -0.564301
C -3.598552 -0.067536 -1.290235
C -2.422188 -0.344619 0.853777
C -4.505032 -0.686479 -0.189369
C -1.027815 -0.320028 -1.321424
C -4.381649 -0.905347 2.288846
C 1.179206 -1.190605 -0.478897
C 0.673919 1.220224 -0.301874
C 2.102746 -1.224123 0.603664
C 1.546090 1.469626 0.793921
C 1.233008 -2.244545 -1.432346
C 0.262807 2.328540 -1.091549
C 3.042443 -2.264934 0.732173
C 2.006167 2.768929 1.082843
C 2.146576 -3.310534 -1.280996
C 0.692618 3.636537 -0.780377
C 3.056765 -3.327623 -0.201099
C 1.568076 3.865361 0.304326
H -2.143216 1.349214 -0.463227
H -3.456017 -0.774276 -2.129737
H -4.046210 0.851950 -1.703904
H -2.068827 -1.410668 0.866590
H -1.860516 0.203107 1.629485
H -5.554954 -0.346913 -0.249169
H -4.504326 -1.805132 -0.276134
H -0.989010 0.090677 -2.354291
H -1.174008 -1.409766 -1.414982
H -4.210652 -2.013018 2.285262
H -5.467410 -0.728497 2.393636
H -3.882313 -0.486232 3.180518
H 0.572732 -2.224836 -2.304865
H -0.387990 2.169192 -1.956578
H 3.748564 -2.250932 1.569249
H 2.690981 2.922010 1.923711
H 2.157545 -4.116937 -2.022508
H 0.350070 4.474830 -1.396895
H 3.772909 -4.147722 -0.087630
H 1.908512 4.877981 0.543127


