%chk=000220552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220552

0 1
O -2.419104 -2.029800 0.085382
N 2.412621 -0.866129 -0.016677
C -1.204943 0.072362 -0.121140
C -2.555503 -0.597642 0.075264
C 1.230537 -0.067901 -0.079073
C -0.039678 -0.667340 0.082251
C -1.131334 1.429925 -0.462056
C 1.295663 1.299950 -0.431770
C 0.121660 2.027785 -0.617602
C -3.587456 -0.201968 -0.977864
C 3.692974 -0.137498 0.203466
C 2.336743 -2.092657 0.825890
H -2.928997 -0.403185 1.111581
H -0.125215 -1.717019 0.369035
H -2.033333 2.016055 -0.606047
H 2.253786 1.792665 -0.570033
H 0.183991 3.082283 -0.887084
H -3.177056 -0.241148 -1.993545
H -3.964768 0.813735 -0.816991
H -4.448458 -0.882863 -0.941996
H 3.838044 0.602196 -0.603530
H 4.534203 -0.846921 0.140293
H 3.747744 0.383768 1.171774
H 3.245896 -2.696532 0.673594
H 1.481029 -2.713250 0.503743
H 2.227314 -1.885550 1.901809
H -2.127758 -2.355723 -0.790273


%chk=000220552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220552

0 1
O -2.411308 -2.141382 -0.336330
N 2.434374 -0.747528 0.373756
C -1.205786 0.031107 -0.173807
C -2.543797 -0.700553 0.010417
C 1.266541 -0.049636 0.038703
C -0.018410 -0.663247 0.158461
C -1.129588 1.367591 -0.640583
C 1.321639 1.301117 -0.434522
C 0.136510 1.984466 -0.763523
C -3.734777 -0.083346 -0.744207
C 3.741392 -0.094150 0.248127
C 2.349042 -2.126117 0.868882
H -2.788305 -0.747667 1.088565
H -0.116315 -1.692972 0.512721
H -2.033707 1.922687 -0.907299
H 2.281216 1.813824 -0.544662
H 0.202631 3.017805 -1.124532
H -3.520648 0.011925 -1.825248
H -3.988539 0.919222 -0.354517
H -4.616205 -0.734210 -0.616275
H 3.951331 0.214488 -0.797025
H 4.532770 -0.795273 0.557303
H 3.818088 0.808574 0.889510
H 3.362297 -2.504285 1.078593
H 1.879716 -2.803940 0.126450
H 1.758687 -2.193778 1.805938
H -2.070250 -2.197122 -1.266493


