%chk=000126157.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126157

0 1
 O   0.1258000      0.6000000      -1.983500    
 N  -0.3303000       1.073100      0.2264000    
 N    5.721300     -0.9282000      0.7133000    
 C   -1.699600       1.478500      3.1999999E-03
 C   -2.649300      0.3010000      9.8300003E-02
 C   -2.075900       2.591200      0.9843000    
 C   0.5093000      0.6513000     -0.8070000    
 C   -2.364300     -0.7240000      0.9818000    
 C   -3.778200      0.2804000     -0.7003000    
 C    1.850000      0.2455000     -0.4163000    
 C   -3.238300      -1.807500       1.069600    
 C   -4.652200     -0.8032000     -0.6124000    
 C    2.551600     -0.6795000      -1.189100    
 C    2.434000      0.7808000      0.7318000    
 C   -4.382300      -1.847000      0.2727000    
 C    4.421500     -0.5340000      0.3341000    
 C    3.837300      -1.069400     -0.8140000    
 C    3.719700      0.3911000       1.107100    
 H   -1.755200       1.890100      -1.012900    
 H  -2.2500001E-02   1.008800       1.191300    
 H   -2.021800       2.245400       2.023200    
 H   -3.095500       2.949000      0.8042000    
 H   -1.394000       3.442900      0.8842000    
 H   -1.491600     -0.7135000       1.627200    
 H   -3.997700       1.089500      -1.390600    
 H   -3.030600      -2.618600       1.761500    
 H   -5.543500     -0.8338000      -1.232300    
 H    2.112100      -1.110900      -2.084700    
 H    1.938800       1.528400       1.344500    
 H   -5.063400      -2.690100      0.3419000    
 H    4.373500      -1.791800      -1.424000    
 H    4.167200      0.8208000       1.999700    
 H    6.144900     -0.5412000       1.546000    
 H    6.230400      -1.599200      0.1535000    


%chk=000126157-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126157

0 1
O 0.417644 1.820584 -1.758859
N -0.403746 0.762622 0.136690
N 5.871515 -1.120123 0.142706
C -1.773740 1.296888 -0.048571
C -2.795476 0.225099 0.356692
C -1.932793 2.661598 0.657280
C 0.621363 1.060228 -0.752954
C -3.822766 0.461616 1.302963
C -2.720845 -1.056271 -0.254781
C 1.962536 0.452483 -0.473917
C -4.750783 -0.554713 1.632717
C -3.644670 -2.071140 0.070603
C 3.082183 0.976350 -1.173975
C 2.182726 -0.626526 0.424769
C -4.666202 -1.823907 1.019459
C 4.592540 -0.608544 -0.061521
C 4.373331 0.466517 -0.974925
C 3.469989 -1.152287 0.631181
H -1.853171 1.479536 -1.138749
H -0.207212 0.253328 0.998961
H -1.819141 2.571907 1.753495
H -2.920299 3.108563 0.441529
H -1.157770 3.349747 0.280925
H -3.907737 1.439867 1.787237
H -1.930987 -1.248900 -0.990827
H -5.539198 -0.352846 2.366941
H -3.573703 -3.050784 -0.415682
H 2.902033 1.792429 -1.881646
H 1.345098 -1.099159 0.953133
H -5.386260 -2.609865 1.273678
H 5.222350 0.892221 -1.523714
H 3.614082 -1.993000 1.320777
H 6.030765 -1.887178 0.789362
H 6.669545 -0.740439 -0.358276


