%chk=000149915.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149915

0 1
 O    5.374300       1.837800     -7.9999998E-04
 O    5.359900     -0.3574000     -7.9999998E-04
 N    4.762100      0.7442000     -7.9999998E-04
 C    1.217000     -0.3095000      3.0000001E-04
 C  -0.8872000      0.6137000      1.0000000E-03
 C   -1.027800     -0.7997000      7.9999998E-04
 C   0.5405000      0.9020000      8.9999998E-04
 C   0.3150000      -1.363900      5.0000002E-04
 C    2.603200     -0.4474000     -1.9999999E-04
 C   -1.993300       1.442200      7.9999998E-04
 C   -2.275400      -1.394000      1.9999999E-04
 C   -3.271500      0.8553000      3.0000001E-04
 C   -3.413000     -0.5667000     -9.9999997E-05
 C    1.266800       2.078300      6.0000003E-04
 C   0.7951000      -2.660100      3.9999999E-04
 C    3.339200      0.7536000     -3.9999999E-04
 C    3.088000      -1.769900     -1.9999999E-04
 C    2.670900       1.997200      9.9999997E-05
 C    2.187700      -2.857300      1.9999999E-04
 C   -4.424300       1.655100       0.000000    
 C   -4.700800      -1.123700     -8.9999998E-04
 C   -5.694300       1.077500     -6.0000003E-04
 C   -5.832000     -0.3072000     -1.3000000E-03
 H   -1.873000       2.521900      8.9999998E-04
 H   -2.370400      -2.476200     -1.9999999E-04
 H   0.7772000       3.046600      7.9999998E-04
 H   0.1250000      -3.513300      6.0000003E-04
 H    4.128500      -2.060700     -5.0000002E-04
 H    3.219600       2.937100     -9.9999997E-05
 H    2.579400      -3.872000      9.9999997E-05
 H   -4.344900       2.740500      1.9999999E-04
 H   -4.836800      -2.203400     -1.3000000E-03
 H   -6.577000       1.710400     -7.9999998E-04
 H   -6.822200     -0.7539000     -1.9000000E-03


%chk=000149915-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149915

0 1
O 5.437653 1.983139 0.000113
O 5.533512 -0.288809 0.000201
N 4.865066 0.820870 0.000228
C 1.242440 -0.335656 0.000004
C -0.895844 0.618454 -0.000038
C -1.045277 -0.834916 -0.000142
C 0.549189 0.921673 0.000039
C 0.312321 -1.427421 -0.000106
C 2.659279 -0.490758 0.000073
C -2.011656 1.448643 -0.000036
C -2.308510 -1.412265 -0.000240
C -3.329745 0.872502 -0.000136
C -3.479500 -0.573731 -0.000239
C 1.300051 2.104795 0.000144
C 0.808499 -2.733610 -0.000151
C 3.387265 0.761986 0.000168
C 3.142456 -1.847624 0.000030
C 2.719092 2.004668 0.000198
C 2.229624 -2.916790 -0.000085
C -4.504881 1.690778 -0.000138
C -4.798254 -1.129947 -0.000335
C -5.780755 1.117130 -0.000239
C -5.928034 -0.304218 -0.000332
H -1.909687 2.540306 0.000035
H -2.437534 -2.500893 -0.000313
H 0.830484 3.093140 0.000187
H 0.146812 -3.606126 -0.000230
H 4.215291 -2.038210 0.000093
H 3.336119 2.907340 0.000277
H 2.626096 -3.938247 -0.000111
H -4.390681 2.781402 -0.000061
H -4.913039 -2.220437 -0.000412
H -6.671419 1.754458 -0.000239
H -6.930935 -0.744526 -0.000408


