%chk=000228050.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228050

0 1
O -0.939166 -0.530599 -0.280069
O -0.179600 -3.762115 1.154146
O -3.030898 -3.995141 0.235276
O -3.157967 -1.782089 -1.369172
N -2.791228 0.866516 -0.304071
N 1.935208 -0.305067 0.015833
N -1.936548 2.286518 1.415788
N 3.706844 1.134292 -0.529188
C -0.878754 -2.902497 0.247298
C -2.371395 -2.808893 0.664510
C -0.147939 -1.543497 0.385583
C -3.065942 -1.572814 0.042914
C -2.236019 -0.302420 0.362118
C 1.194305 -1.534538 -0.361791
C -2.444829 2.167508 0.145891
C 3.277830 -0.170727 -0.380718
C -2.713342 3.287741 -0.679514
C 4.157781 -1.273461 -0.522244
C -2.453697 4.555781 -0.165028
C -1.695408 3.537918 1.882787
C -1.938365 4.695308 1.129346
C 5.500305 -1.016163 -0.787314
C 5.020964 1.343106 -0.778095
C 5.952046 0.301579 -0.918240
H -0.793295 -3.325478 -0.777835
H -2.472914 -2.838588 1.774934
H -0.021523 -1.271496 1.460407
H -4.130581 -1.488229 0.360633
H -2.089512 -0.139511 1.459883
H 1.025604 -1.595679 -1.460908
H 1.778232 -2.438538 -0.055456
H -2.920348 0.759484 -1.314558
H -0.647653 -4.629634 1.216299
H -3.317088 -3.903317 -0.712855
H -2.269673 -1.626230 -1.786758
H 1.365232 0.551129 -0.042045
H -3.114532 3.164472 -1.680272
H 3.799887 -2.289983 -0.401267
H -2.649735 5.440186 -0.773256
H -1.288388 3.590724 2.900804
H -1.726122 5.677102 1.541374
H 6.200984 -1.845297 -0.892409
H 5.322398 2.393404 -0.876657
H 6.994539 0.516635 -1.123401


%chk=000228050-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228050

0 1
O -0.907524 -0.591574 -0.441723
O -0.218698 -4.008336 0.875434
O -3.147045 -4.006477 0.433962
O -3.359354 -1.750307 -1.310598
N -2.805188 0.863306 -0.264022
N 1.892367 -0.402145 -0.241431
N -1.542968 2.279528 1.135555
N 3.617046 1.159688 -0.323853
C -0.931567 -2.966569 0.139453
C -2.362953 -2.793266 0.702254
C -0.140118 -1.651968 0.265144
C -3.072362 -1.546506 0.131006
C -2.195023 -0.292901 0.302856
C 1.248463 -1.704950 -0.373797
C -2.430962 2.163242 0.102827
C 3.248012 -0.166381 -0.385275
C -2.979050 3.293178 -0.569828
C 4.207007 -1.211413 -0.577406
C -2.582387 4.576086 -0.151533
C -1.177978 3.533595 1.525008
C -1.661360 4.711804 0.917942
C 5.566619 -0.863374 -0.679906
C 4.938718 1.460943 -0.431339
C 5.957888 0.496367 -0.603867
H -1.005795 -3.240931 -0.938793
H -2.303421 -2.724779 1.804194
H -0.040820 -1.376998 1.337267
H -4.061706 -1.420743 0.601000
H -1.929171 -0.091980 1.357163
H 1.152134 -2.018363 -1.438366
H 1.825433 -2.486673 0.153385
H -3.387443 0.726356 -1.092086
H -0.820661 -4.796642 0.928301
H -3.514540 -3.908843 -0.486536
H -2.492596 -1.607378 -1.785000
H 1.288152 0.424891 -0.234561
H -3.690049 3.162342 -1.393036
H 3.896270 -2.257714 -0.648229
H -2.984723 5.461997 -0.654356
H -0.461771 3.579179 2.353158
H -1.326494 5.693121 1.264607
H 6.317134 -1.649002 -0.823512
H 5.182218 2.529204 -0.377095
H 7.005959 0.798784 -0.681665


