%chk=000241656.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241656

0 1
O 1.696777 -0.995389 1.641559
N -0.958237 -0.695671 1.125359
N -2.304947 -0.568655 1.226602
C 1.908865 -0.382834 0.339444
C 0.865927 -0.996122 -0.625577
C 1.709184 1.108447 0.563009
C 3.344414 -0.657949 -0.094496
C -0.545109 -0.809537 -0.206190
C -1.707895 -0.761719 -0.982000
C 1.665322 1.976935 -0.537337
C 4.337693 -0.738501 0.893871
C 1.588447 1.621320 1.861327
C 3.698876 -0.795378 -1.442162
C -2.793804 -0.610699 -0.056847
C 1.488788 3.348320 -0.336328
C 5.666952 -0.975595 0.538115
C 1.410267 2.993852 2.056823
C 5.031358 -1.031250 -1.796119
C -4.221430 -0.516513 -0.365606
C 1.358532 3.858656 0.959620
C 6.015920 -1.125216 -0.808424
C -4.640142 -0.026357 -1.614949
C -5.182275 -0.915409 0.580410
C -6.002250 0.054832 -1.913183
C -6.542185 -0.830306 0.274422
C -6.955026 -0.347793 -0.971779
H 1.067562 -2.084920 -0.744349
H 0.997271 -0.562374 -1.643169
H -1.789473 -0.831638 -2.044161
H 1.922361 -1.948671 1.612894
H 1.769900 1.589953 -1.548942
H 4.063846 -0.604678 1.942939
H 1.634932 0.946551 2.718661
H 2.946575 -0.715382 -2.225627
H -0.354640 -0.650518 1.944889
H 1.450680 4.020627 -1.191896
H 6.432883 -1.038193 1.309979
H 1.309737 3.388088 3.066937
H 5.301244 -1.139164 -2.845700
H 1.216263 4.926958 1.112920
H 7.052528 -1.309496 -1.086230
H -3.903020 0.297485 -2.347236
H -4.859368 -1.285607 1.554666
H -6.322249 0.435182 -2.881367
H -7.282285 -1.140024 1.010172
H -8.014965 -0.283649 -1.207446


%chk=000241656-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241656

0 1
O 1.740459 -1.212003 1.565708
N -0.951335 -1.316510 0.922156
N -2.316450 -1.194440 1.089768
C 1.945680 -0.462471 0.278341
C 0.930302 -1.038346 -0.760258
C 1.645314 1.021374 0.559892
C 3.414085 -0.660586 -0.146668
C -0.511788 -0.941839 -0.337604
C -1.665751 -0.568331 -1.042593
C 1.906500 1.979150 -0.452676
C 4.427809 -0.244804 0.759803
C 1.091983 1.450474 1.787980
C 3.801869 -1.249975 -1.375455
C -2.764385 -0.735695 -0.130649
C 1.612899 3.342967 -0.242994
C 5.791308 -0.423099 0.449803
C 0.800011 2.817858 1.999198
C 5.169951 -1.423529 -1.690052
C -4.201496 -0.486965 -0.352234
C 1.055794 3.768236 0.986183
C 6.168638 -1.015069 -0.779441
C -4.683480 -0.028360 -1.608264
C -5.138284 -0.704213 0.696660
C -6.060324 0.206666 -1.810974
C -6.512884 -0.469193 0.492724
C -6.983349 -0.012191 -0.762158
H 1.197327 -2.097637 -0.952031
H 1.042000 -0.494837 -1.715086
H -1.702164 -0.214958 -2.070751
H 2.396727 -1.952690 1.592398
H 2.358374 1.661857 -1.400852
H 4.134477 0.233535 1.701020
H 0.899610 0.714812 2.572924
H 3.049306 -1.575503 -2.100242
H -0.336838 -1.572814 1.696651
H 1.822307 4.073130 -1.032851
H 6.559025 -0.094675 1.159119
H 0.367056 3.137322 2.953796
H 5.453006 -1.877833 -2.646090
H 0.825523 4.826817 1.150416
H 7.227682 -1.150790 -1.024804
H -3.981115 0.145690 -2.431298
H -4.765629 -1.057292 1.663402
H -6.413229 0.560273 -2.786626
H -7.220377 -0.641830 1.311999
H -8.052345 0.170312 -0.919795


