%chk=000267493.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267493

0 1
O -4.641673 1.087041 0.000707
O -2.711813 -1.945110 -0.013644
O 6.516347 0.581517 0.007698
O 6.048056 -1.529615 -0.005806
N -2.079504 0.301110 -0.001116
N 5.728556 -0.351792 0.001190
N -0.754410 -0.008743 -0.001793
C 1.565239 0.580524 0.003101
C 4.286666 -0.030178 0.001854
C 2.521958 1.615649 0.010442
C 1.987048 -0.761829 -0.004846
C 3.881178 1.314244 0.009844
C 3.345267 -1.071451 -0.005496
C -4.421282 -0.307058 -0.006282
C 0.135024 0.949352 0.004009
C -5.621144 -0.977478 -0.010622
C -3.020376 -0.779139 -0.007664
C -6.655148 0.024115 -0.006275
C -6.026751 1.243614 0.000473
H 2.204492 2.658231 0.016650
H 1.242354 -1.566226 -0.010514
H 4.635437 2.108983 0.015505
H 3.684858 -2.113671 -0.011648
H -0.074487 2.028892 0.009662
H -5.772887 -2.044941 -0.016221
H -7.711543 -0.175175 -0.008101
H -2.417804 1.275198 0.003890
H -6.331159 2.268837 0.005502


%chk=000267493-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267493

0 1
O -4.630756 1.114145 0.001503
O -2.828027 -2.068957 -0.015702
O 6.586930 0.747640 0.008059
O 6.165550 -1.495364 -0.005220
N -2.083924 0.179552 -0.002073
N 5.779166 -0.262207 0.001971
N -0.754807 -0.152781 -0.002936
C 1.561660 0.529840 0.002911
C 4.324169 0.010802 0.002255
C 2.497915 1.603021 0.009820
C 2.041052 -0.814561 -0.004369
C 3.881070 1.351750 0.009553
C 3.418429 -1.078148 -0.004732
C -4.446054 -0.296633 -0.006581
C 0.126980 0.828572 0.003423
C -5.685306 -0.921324 -0.011019
C -3.071659 -0.834496 -0.008851
C -6.687811 0.117354 -0.005664
C -6.018111 1.331318 0.001849
H 2.136624 2.638181 0.015434
H 1.311152 -1.629363 -0.009626
H 4.616943 2.159780 0.014808
H 3.809518 -2.098808 -0.010256
H -0.167769 1.897212 0.009338
H -5.840645 -1.997642 -0.017379
H -7.767111 -0.018421 -0.007167
H -2.398988 1.163446 0.003448
H -6.333692 2.370992 0.007700


