%chk=000213122.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213122

0 1
Cl -6.032209 -3.189797 -0.000697
Cl 6.031829 3.189793 -0.000737
Cl -7.798949 2.761183 0.001384
Cl 7.798884 -2.761079 0.001450
Cl -9.919863 0.489128 0.000750
Cl 9.919694 -0.488932 0.000857
O -3.193856 1.267544 0.000230
O 3.193577 -1.267536 0.000164
N -4.130990 -0.874355 0.000122
N 4.130786 0.874339 0.000052
N -1.779761 -0.553977 -0.000018
N 1.779537 0.554011 -0.000111
C -5.505020 -0.509871 0.000241
C 5.504827 0.509881 0.000214
C -6.488611 -1.530582 -0.000074
C 6.488336 1.530641 -0.000081
C -5.931589 0.832825 0.000677
C 5.931434 -0.832801 0.000675
C -7.293086 1.126051 0.000859
C 7.292945 -1.125970 0.000895
C -7.851124 -1.231715 0.000082
C 7.850871 1.231820 0.000119
C -8.254558 0.104968 0.000569
C 8.254368 -0.104835 0.000626
C -3.055068 0.058655 0.000097
C 3.054858 -0.058644 -0.000072
C -0.617652 0.271919 -0.000027
C 0.617431 -0.271871 -0.000054
H -5.195146 1.653253 0.000837
H 5.195035 -1.653247 0.000817
H -3.918994 -1.876513 -0.000064
H 3.918804 1.876489 -0.000057
H -8.594890 -2.034424 -0.000206
H 8.594589 2.034575 -0.000150
H -1.655622 -1.561662 0.000017
H 1.655416 1.561696 -0.000108
H -0.821467 1.351798 -0.000030
H 0.821234 -1.351756 -0.000047


%chk=000213122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213122

0 1
Cl -5.864755 -3.223245 0.000218
Cl 5.864550 3.223298 0.000224
Cl -7.970873 2.846202 0.000413
Cl 7.970658 -2.846151 0.000434
Cl -10.108767 0.338437 0.000500
Cl 10.108556 -0.338390 0.000540
O -3.185873 1.422719 0.000138
O 3.185664 -1.422663 0.000144
N -4.138456 -0.746675 0.000159
N 4.138248 0.746731 0.000146
N -1.814306 -0.470866 0.000099
N 1.814092 0.470920 0.000069
C -5.511788 -0.431747 0.000234
C 5.511579 0.431801 0.000234
C -6.462875 -1.490853 0.000272
C 6.462668 1.490906 0.000282
C -6.014400 0.897346 0.000278
C 6.014189 -0.897293 0.000283
C -7.400740 1.130642 0.000357
C 7.400528 -1.130591 0.000374
C -7.845440 -1.264686 0.000352
C 7.845232 1.264736 0.000375
C -8.322869 0.062598 0.000395
C 8.322659 -0.062549 0.000421
C -3.064911 0.162436 0.000102
C 3.064700 -0.162379 0.000070
C -0.620029 0.281379 0.000088
C 0.619816 -0.281326 0.000087
H -5.303594 1.725906 0.000246
H 5.303382 -1.725852 0.000244
H -3.935596 -1.751447 0.000139
H 3.935389 1.751503 0.000138
H -8.546539 -2.102468 0.000381
H 8.546332 2.102518 0.000410
H -1.747047 -1.490662 0.000121
H 1.746831 1.490716 0.000063
H -0.798430 1.361181 0.000077
H 0.798217 -1.361128 0.000094


