%chk=000020110.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020110

0 1
 O    2.827700      -1.309500      -2.095000    
 O    1.688800       1.829400      0.6115000    
 O   0.1765000      -2.880800       1.809900    
 O   -1.647600      0.8859000      -1.522500    
 O    1.771800       4.129000      0.6857000    
 N    4.946500     -0.7748000     -0.1351000    
 N    1.994000      -1.339000      0.1434000    
 N   -3.503500     -0.3898000     -1.6200000E-02
 N    2.054900       2.868000       2.587500    
 C    3.787700      8.1100002E-02 -0.3923000    
 C    2.527500     -0.5003000     -0.9583000    
 C    4.023100     -0.5200000      0.9562000    
 C    2.916100      -1.483900       1.265600    
 C    1.323200      0.4425000      -1.299000    
 C   0.6254000      -1.217100      0.2098000    
 C   0.1760000     -0.2650000     -0.6050000    
 C    1.454300       1.874100     -0.7836000    
 C  -0.2589000      -2.006300       1.069100    
 C   -1.250600      3.4200002E-02 -0.7335000    
 C    3.177200     -0.5139000      -3.216700    
 C   -2.194800     -0.7434000      0.1400000    
 C   -1.724100      -1.690900      0.9809000    
 C   -2.584200      -2.521200       1.896400    
 C   -4.309600      0.1304000       1.089500    
 C   -4.224600     -0.6004000      -1.272500    
 C   -4.967200       1.446700      0.6799000    
 C   -4.880200      0.7044000      -1.721100    
 C    1.832700       3.038300       1.243400    
 C   -5.758100       1.292500     -0.6179000    
 H    4.016300       1.110700     -0.6069000    
 H    4.363100      9.0800002E-02   1.777300    
 H    5.783200     -0.2026000     -2.6300000E-02
 H    3.284500      -2.512500       1.332400    
 H    2.437500      -1.211500       2.212500    
 H    1.087800      0.4792000      -2.365500    
 H   0.5348000       2.438400     -0.9811000    
 H    2.280200       2.385300      -1.291600    
 H    3.656300      0.4357000      -2.959300    
 H    2.301300     -0.3399000      -3.848300    
 H    3.886300      -1.090400      -3.819200    
 H   -3.648000      -2.461100       1.653900    
 H   -2.449300      -2.202000       2.934900    
 H   -2.316400      -3.581000       1.821400    
 H   -3.697700      0.3039000       1.983100    
 H   -5.080700     -0.6015000       1.358800    
 H   -4.990200      -1.371300      -1.120200    
 H   -3.562000     -0.9703000      -2.064200    
 H   -4.194000       2.212900      0.5407000    
 H   -5.629100       1.796900       1.479700    
 H   -5.485500      0.5236000      -2.616400    
 H   -4.114200       1.437700      -1.997400    
 H   -6.620200      0.6365000     -0.4462000    
 H   -6.150800       2.265500     -0.9331000    
 H    2.098200       1.943000       3.001900    
 H    2.184000       3.661000       3.206800    


%chk=000020110-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020110

0 1
O 2.802427 -1.370294 -2.004526
O 1.288784 2.212271 0.402625
O 0.205877 -2.629193 2.069258
O -1.742983 1.012521 -1.593446
O 3.300909 3.455024 0.307561
N 4.919685 -0.676445 -0.135071
N 1.944526 -1.217633 0.187414
N -3.609228 -0.496148 -0.097733
N 2.071507 3.192731 2.288348
C 3.728736 0.268679 -0.309721
C 2.490736 -0.400233 -0.936169
C 3.987934 -0.396899 1.032789
C 2.935962 -1.498005 1.251839
C 1.265474 0.487327 -1.394794
C 0.580137 -1.111788 0.236434
C 0.097182 -0.224668 -0.718548
C 1.299475 1.993145 -1.069796
C -0.306627 -1.833059 1.196371
C -1.295485 0.062297 -0.843965
C 3.663565 -0.832762 -3.061858
C -2.251155 -0.754380 0.058863
C -1.747662 -1.639482 1.034956
C -2.612223 -2.576134 1.861309
C -4.556076 -0.384872 1.039314
C -4.252420 -0.254860 -1.418395
C -5.242542 1.005422 1.030398
C -4.958154 1.115987 -1.485053
C 2.312185 3.003742 0.945716
C -5.954954 1.273553 -0.314128
H 3.909602 1.336542 -0.455967
H 4.350891 0.181023 1.888263
H 5.793805 -0.119887 -0.045360
H 3.380558 -2.499284 1.119845
H 2.448492 -1.453318 2.238003
H 1.192586 0.415813 -2.497076
H 0.372044 2.452381 -1.449375
H 2.184023 2.498704 -1.496767
H 4.672151 -0.604682 -2.671243
H 3.229075 0.073214 -3.536713
H 3.732451 -1.633488 -3.814419
H -3.543315 -2.836173 1.329799
H -2.884452 -2.165749 2.853506
H -2.040218 -3.497868 2.060445
H -4.009344 -0.524868 1.981837
H -5.332751 -1.176529 0.967179
H -5.005938 -1.063436 -1.557512
H -3.498408 -0.339907 -2.211220
H -4.475167 1.783852 1.206998
H -5.960352 1.046091 1.873000
H -5.481642 1.204021 -2.456495
H -4.181537 1.899995 -1.446332
H -6.790790 0.552922 -0.436435
H -6.400667 2.285937 -0.317766
H 1.227970 2.816726 2.715266
H 2.720741 3.759325 2.826346


