%chk=000243126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243126

0 1
O 4.286989 -1.175962 1.074625
N -2.141134 1.289236 0.073966
C 1.560636 0.875194 -0.132004
C 2.134040 0.259824 -1.440985
C 0.078489 0.755804 -0.057447
C 2.271352 0.156422 1.036152
C 3.428677 -0.470421 -1.071209
C 3.448334 -0.582167 0.441718
C -0.827363 1.811342 0.030431
C -0.682051 -0.470392 -0.060705
C -2.072058 -0.115625 0.027623
C -0.571782 3.267822 0.071702
C -0.330259 -1.831825 -0.128791
C -3.088996 -1.090984 0.050232
C -3.368572 2.081906 0.196458
C -1.333253 -2.785819 -0.106835
C -2.700496 -2.417437 -0.017748
H 1.843070 1.957825 -0.101144
H 2.308522 1.044115 -2.194334
H 1.405887 -0.438026 -1.894399
H 1.596564 -0.556342 1.553043
H 2.594032 0.858498 1.823718
H 4.327756 0.071916 -1.418834
H 3.494195 -1.470867 -1.536114
H 0.509581 3.480337 0.091740
H -0.983143 3.780558 -0.810656
H -1.007121 3.737314 0.966235
H 0.717913 -2.115643 -0.197202
H -4.133129 -0.807545 0.119935
H -3.469040 2.500358 1.214700
H -3.370573 2.917493 -0.525970
H -4.258544 1.460344 -0.006130
H -1.081304 -3.843078 -0.157036
H -3.452519 -3.204773 -0.002436


%chk=000243126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243126

0 1
O 4.687393 -0.758071 1.064898
N -2.152772 1.302421 0.080552
C 1.559138 0.727569 -0.155121
C 2.168366 0.083964 -1.450844
C 0.053719 0.672115 -0.065522
C 2.321595 0.003152 0.994961
C 3.661241 -0.129249 -1.111299
C 3.695564 -0.354212 0.411366
C -0.818786 1.769210 0.006514
C -0.772451 -0.527782 -0.034748
C -2.143339 -0.097260 0.058524
C -0.515314 3.241472 0.013966
C -0.505206 -1.924113 -0.074135
C -3.225391 -1.002680 0.113316
C -3.368066 2.111321 0.171330
C -1.579371 -2.834704 -0.018801
C -2.926757 -2.380503 0.074113
H 1.878950 1.789154 -0.142318
H 2.008700 0.724461 -2.334817
H 1.674524 -0.883144 -1.655092
H 1.805814 -0.934524 1.281675
H 2.423941 0.597969 1.918909
H 4.259028 0.780416 -1.326094
H 4.149637 -0.964036 -1.642843
H 0.572804 3.405378 -0.038078
H -0.968288 3.766796 -0.849526
H -0.879110 3.738830 0.934098
H 0.520351 -2.302403 -0.149075
H -4.262386 -0.656672 0.184982
H -3.906000 1.916387 1.118505
H -3.111714 3.180795 0.134852
H -4.051422 1.890933 -0.670162
H -1.378358 -3.911408 -0.047609
H -3.741333 -3.112181 0.115820


